Organoheterocyclic compounds

Organoheterocyclic compounds
























































































































Thermo Scientific Alfa Aesar Caffeine, 99.7%
CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

PubChem CID | 2519 |
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CAS | 58-08-2 |
Molecular Weight (g/mol) | 194.19 |
ChEBI | CHEBI:27732 |
MDL Number | MFCD00005758 |
SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
Molecular Formula | C8H10N4O2 |
Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%
CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
PubChem CID | 6202 |
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CAS | 67-03-8 |
Molecular Weight (g/mol) | 337.26 |
ChEBI | CHEBI:49105 |
MDL Number | MFCD00012780 |
SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
Synonym | thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride |
IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride |
InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
Molecular Formula | C12H17ClN4OS·HCl |
Thermo Scientific Alfa Aesar 3-Aminophthalhydrazide, 98%
CAS: 521-31-3 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.163 MDL Number: MFCD00006890 InChI Key: HWYHZTIRURJOHG-UHFFFAOYSA-N Synonym: luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide PubChem CID: 10638 IUPAC Name: 5-amino-2,3-dihydrophthalazine-1,4-dione SMILES: C1=CC2=C(C(=C1)N)C(=O)NNC2=O
PubChem CID | 10638 |
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CAS | 521-31-3 |
Molecular Weight (g/mol) | 177.163 |
MDL Number | MFCD00006890 |
SMILES | C1=CC2=C(C(=C1)N)C(=O)NNC2=O |
Synonym | luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide |
IUPAC Name | 5-amino-2,3-dihydrophthalazine-1,4-dione |
InChI Key | HWYHZTIRURJOHG-UHFFFAOYSA-N |
Molecular Formula | C8H7N3O2 |
Thermo Scientific Alfa Aesar Melamine, 99%
CAS: 108-78-1 Molecular Formula: C3H6N6 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00006055 InChI Key: JDSHMPZPIAZGSV-UHFFFAOYSA-N Synonym: melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr PubChem CID: 7955 ChEBI: CHEBI:27915 IUPAC Name: 1,3,5-triazine-2,4,6-triamine SMILES: NC1=NC(N)=NC(N)=N1
PubChem CID | 7955 |
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CAS | 108-78-1 |
Molecular Weight (g/mol) | 126.12 |
ChEBI | CHEBI:27915 |
MDL Number | MFCD00006055 |
SMILES | NC1=NC(N)=NC(N)=N1 |
Synonym | melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr |
IUPAC Name | 1,3,5-triazine-2,4,6-triamine |
InChI Key | JDSHMPZPIAZGSV-UHFFFAOYSA-N |
Molecular Formula | C3H6N6 |
Thermo Scientific Acros Phthalic Anhydride, 99%
CAS: 85-44-9 Molecular Formula: C8H4O3 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00005918 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N Synonym: phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 SMILES: O=C1OC(=O)C2=CC=CC=C12

PubChem CID | 6811 |
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CAS | 85-44-9 |
Molecular Weight (g/mol) | 148.12 |
ChEBI | CHEBI:36605 |
MDL Number | MFCD00005918 |
SMILES | O=C1OC(=O)C2=CC=CC=C12 |
Synonym | phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen |
InChI Key | LGRFSURHDFAFJT-UHFFFAOYSA-N |
Molecular Formula | C8H4O3 |
Thermo Scientific Acros 9-Borabicyclo[3.3.1]nonane, 0.5M solution in THF, AcroSeal™
CAS: 280-64-8 | C8H15B | 122.02 g/mol

Molecular Weight (g/mol) | 122.02 |
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CAS Min % | 92.49 |
Chemical Name or Material | 9-Borabicyclo[3.3.1]nonane |
SMILES | [B]1C2CCCC1CCC2 |
InChI Key | AMKGKYQBASDDJB-UHFFFAOYSA-N |
Density | 0.8840g/mL |
PubChem CID | 6327450 |
Fieser | 02,31; 03,24; 04,41; 05,46; 06,62; 07,29; 08,47; 09,57; 10,48; 11,68; 13,92; 14,52; 15,43; 17,49; 01,732; 04,356 |
CAS | 109-99-9 |
Health Hazard 3 | GHS P Statement Keep away from heat/sparks/open flames/hot surfaces. - No smoking. IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower. Handle under inert gas. Protect from moisture |
MDL Number | MFCD00074742 |
Health Hazard 2 | GHS H Statement In contact with water releases flammable gases. Highly flammable liquid and vapor. Causes severe skin burns and eye damage. May cause respiratory irritation. Suspected of causing cancer. May form explo |
Solubility Information | Solubility in water: reacts |
Flash Point | −17°C |
Health Hazard 1 | GHS Signal Word: Danger |
Synonym | 9-borabicyclo 3.3.1 nonane,9-borabicyclo 3.3.1 nonan,9-borabicyclo 3,3,1 nonane,9$l^ 2-borabicyclo 3.3.1 nonane,1s,5s-9-borabicyclo 3.3.1 nonane,monomer; 21205-91-4 dimer,9-borabicyclo 3.3.1 nonane,9-bbn,intetrahydrofuran |
IUPAC Name | 9$l^{2}-borabicyclo[3.3.1]nonane |
Molecular Formula | C8H15B |
EINECS Number | 206-000-9 |
Formula Weight | 122.02 |
Specific Gravity | 0.884 |
CAS Max % | 93.86 |
Thermo Scientific Acros Neocuproine Hydrochloride Monohydrate, 99%
CAS: 303136-82-5 Molecular Formula: C14H12N2 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00150062 InChI Key: IYRGXJIJGHOCFS-UHFFFAOYSA-N Synonym: 2,9-dimethyl-1,10-phenanthroline hydrochloride monohydrate,2,9-dimethyl-1,10-phenanthroline hydrochloride hydrate,neocuproine hydrochloride monohydrate,neocuproine hydrate hydrochloride,c14h12n2.hcl.h2o,2,9-dimethyl-1,10-phenanthroline hydrate hydrochloride,neocuproine hydrochloride hydrate,neocuproinehydrochloridemonohydrate,neocuproine hydrochloride hydrate 98,neocuproine hydrochloride trihydrate, 98 % PubChem CID: 2723838 IUPAC Name: 2,9-dimethyl-1,10-phenanthroline;hydrate;hydrochloride SMILES: CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1

PubChem CID | 2723838 |
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CAS | 303136-82-5 |
Molecular Weight (g/mol) | 208.26 |
MDL Number | MFCD00150062 |
SMILES | CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1 |
Synonym | 2,9-dimethyl-1,10-phenanthroline hydrochloride monohydrate,2,9-dimethyl-1,10-phenanthroline hydrochloride hydrate,neocuproine hydrochloride monohydrate,neocuproine hydrate hydrochloride,c14h12n2.hcl.h2o,2,9-dimethyl-1,10-phenanthroline hydrate hydrochloride,neocuproine hydrochloride hydrate,neocuproinehydrochloridemonohydrate,neocuproine hydrochloride hydrate 98,neocuproine hydrochloride trihydrate, 98 % |
IUPAC Name | 2,9-dimethyl-1,10-phenanthroline;hydrate;hydrochloride |
InChI Key | IYRGXJIJGHOCFS-UHFFFAOYSA-N |
Molecular Formula | C14H12N2 |
Thermo Scientific Acros N-Bromosuccinimide, 99%
CAS: 128-08-5 MDL Number: MFCD00005510 InChI Key: PCLIMKBDDGJMGD-UHFFFAOYSA-N Synonym: n-bromosuccinimide,succinbromimide,succinbromide,succinibromimide,n-bromosuccimide,2,5-pyrrolidinedione, 1-bromo,1-bromo-2,5-pyrrolidinedione,bromosuccinimide,nbs,n-bromo succinimide PubChem CID: 67184 ChEBI: CHEBI:53174 IUPAC Name: 1-bromopyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)Br

PubChem CID | 67184 |
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CAS | 128-08-5 |
ChEBI | CHEBI:53174 |
MDL Number | MFCD00005510 |
SMILES | C1CC(=O)N(C1=O)Br |
Synonym | n-bromosuccinimide,succinbromimide,succinbromide,succinibromimide,n-bromosuccimide,2,5-pyrrolidinedione, 1-bromo,1-bromo-2,5-pyrrolidinedione,bromosuccinimide,nbs,n-bromo succinimide |
IUPAC Name | 1-bromopyrrolidine-2,5-dione |
InChI Key | PCLIMKBDDGJMGD-UHFFFAOYSA-N |
Thermo Scientific Chemicals Cyanocobalamin, 96%
CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.38 MDL Number: MFCD00151092 InChI Key: AGVAZMGAQJOSFJ-WZHZPDAFSA-M Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2]

PubChem CID | 129893524 |
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CAS | 68-19-9 |
Molecular Weight (g/mol) | 1355.38 |
MDL Number | MFCD00151092 |
SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2] |
Synonym | vitamin b12 |
IUPAC Name | cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- |
InChI Key | AGVAZMGAQJOSFJ-WZHZPDAFSA-M |
Molecular Formula | C63H88CoN14O14P |
Thermo Scientific Chemicals Thiazolyl Blue tetrazolium bromide, 98%
CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID | 64965 |
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CAS | 298-93-1 |
Molecular Weight (g/mol) | 414.33 |
ChEBI | CHEBI:53233 |
MDL Number | MFCD00011964,MFCD00066662 |
SMILES | [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i |
IUPAC Name | 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide |
InChI Key | AZKSAVLVSZKNRD-UHFFFAOYSA-M |
Molecular Formula | C18H16BrN5S |
Thermo Scientific Alfa Aesar Pyridoxine hydrochloride, 99%
CAS: 58-56-0 Molecular Formula: C8H12ClNO3 Molecular Weight (g/mol): 205.638 MDL Number: MFCD00012807 InChI Key: ZUFQODAHGAHPFQ-UHFFFAOYSA-N Synonym: pyridoxine hydrochloride,pyridoxine hcl,pyridoxol hydrochloride,vitamin b6,alestrol,becilan,benadon,hexavibex,hexermin,hexobion PubChem CID: 6019 ChEBI: CHEBI:30961 IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride SMILES: CC1=NC=C(C(=C1O)CO)CO.Cl

PubChem CID | 6019 |
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CAS | 58-56-0 |
Molecular Weight (g/mol) | 205.638 |
ChEBI | CHEBI:30961 |
MDL Number | MFCD00012807 |
SMILES | CC1=NC=C(C(=C1O)CO)CO.Cl |
Synonym | pyridoxine hydrochloride,pyridoxine hcl,pyridoxol hydrochloride,vitamin b6,alestrol,becilan,benadon,hexavibex,hexermin,hexobion |
IUPAC Name | 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride |
InChI Key | ZUFQODAHGAHPFQ-UHFFFAOYSA-N |
Molecular Formula | C8H12ClNO3 |
Thermo Scientific Alfa Aesar Hemin (porcine), 97+%
CAS: 16009-13-5 Molecular Formula: C34H32ClFeN4O4 Molecular Weight (g/mol): 651.95 MDL Number: MFCD00010726 InChI Key: BTIJJDXEELBZFS-HXFTUNQESA-K Synonym: chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin PubChem CID: 131675604 IUPAC Name: 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid SMILES: CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C

PubChem CID | 131675604 |
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CAS | 16009-13-5 |
Molecular Weight (g/mol) | 651.95 |
MDL Number | MFCD00010726 |
SMILES | CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C |
Synonym | chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin |
IUPAC Name | 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid |
InChI Key | BTIJJDXEELBZFS-HXFTUNQESA-K |
Molecular Formula | C34H32ClFeN4O4 |
Thermo Scientific Acros Epichlorohydrin, 99%
CAS: 106-89-8 Molecular Formula: C3H5ClO Molecular Weight (g/mol): 92.52 InChI Key: BRLQWZUYTZBJKN-UHFFFAOYSA-N Synonym: epichlorohydrin,2-chloromethyl oxirane,epichlorhydrin,1-chloro-2,3-epoxypropane,glycidyl chloride,oxirane, chloromethyl,epichlorhydrine,1,2-epoxy-3-chloropropane,2,3-epoxypropyl chloride,chloropropylene oxide PubChem CID: 7835 ChEBI: CHEBI:37144 IUPAC Name: 2-(chloromethyl)oxirane SMILES: C1C(O1)CCl

PubChem CID | 7835 |
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CAS | 106-89-8 |
Molecular Weight (g/mol) | 92.52 |
ChEBI | CHEBI:37144 |
SMILES | C1C(O1)CCl |
Synonym | epichlorohydrin,2-chloromethyl oxirane,epichlorhydrin,1-chloro-2,3-epoxypropane,glycidyl chloride,oxirane, chloromethyl,epichlorhydrine,1,2-epoxy-3-chloropropane,2,3-epoxypropyl chloride,chloropropylene oxide |
IUPAC Name | 2-(chloromethyl)oxirane |
InChI Key | BRLQWZUYTZBJKN-UHFFFAOYSA-N |
Molecular Formula | C3H5ClO |
Thermo Scientific Chemicals Adenine, 99%
CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

PubChem CID | 190 |
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CAS | 73-24-5 |
Molecular Weight (g/mol) | 135.13 |
ChEBI | CHEBI:16708 |
MDL Number | MFCD00041790 |
SMILES | NC1=C2NC=NC2=NC=N1 |
Synonym | adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine |
IUPAC Name | 7H-purin-6-amine |
InChI Key | GFFGJBXGBJISGV-UHFFFAOYSA-N |
Molecular Formula | C5H5N5 |
Thermo Scientific Acros epsilon-Caprolactone monomer, 99%
CAS: 502-44-3 MDL Number: MFCD00003267 InChI Key: PAPBSGBWRJIAAV-UHFFFAOYSA-N Synonym: 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane PubChem CID: 10401 ChEBI: CHEBI:17915 IUPAC Name: oxepan-2-one SMILES: C1CCC(=O)OCC1

PubChem CID | 10401 |
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CAS | 502-44-3 |
ChEBI | CHEBI:17915 |
MDL Number | MFCD00003267 |
SMILES | C1CCC(=O)OCC1 |
Synonym | 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane |
IUPAC Name | oxepan-2-one |
InChI Key | PAPBSGBWRJIAAV-UHFFFAOYSA-N |