Organoheterocyclic compounds
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1-Methyl-2-imidazolemethanol, 98%
CAS: 17334-08-6 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD00964673 InChI Key: CDQDMLWGTVLQEE-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazol-2-yl methanol,1-methylimidazol-2-yl methanol,1h-imidazole-2-methanol, 1-methyl,1-methyl-2-imidazolyl methanol,2-hydroxymethyl-1-methylimidazole,imidazole-2-methanol, 1-methyl,1-methyl-1h-imidazole-2-methanol,1-methylimidazol-2-yl methan-1-ol,pubchem9047 PubChem CID: 573612 IUPAC Name: (1-methylimidazol-2-yl)methanol SMILES: CN1C=CN=C1CO
| PubChem CID | 573612 |
|---|---|
| CAS | 17334-08-6 |
| Molecular Weight (g/mol) | 112.132 |
| MDL Number | MFCD00964673 |
| SMILES | CN1C=CN=C1CO |
| Synonym | 1-methyl-1h-imidazol-2-yl methanol,1-methylimidazol-2-yl methanol,1h-imidazole-2-methanol, 1-methyl,1-methyl-2-imidazolyl methanol,2-hydroxymethyl-1-methylimidazole,imidazole-2-methanol, 1-methyl,1-methyl-1h-imidazole-2-methanol,1-methylimidazol-2-yl methan-1-ol,pubchem9047 |
| IUPAC Name | (1-methylimidazol-2-yl)methanol |
| InChI Key | CDQDMLWGTVLQEE-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2O |
2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid, 97%, Thermo Scientific™
CAS: 70523-22-7 Molecular Formula: C4H5BN2O4 Molecular Weight (g/mol): 155.90 MDL Number: MFCD01318983 InChI Key: PVEJOCQTIVCDNO-UHFFFAOYSA-N Synonym: uracil-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl boronic acid,2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid,2,4-dihydroxypyrimidine-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-ylboronic acid,2,4-dihydroxypyrimidin-5-ylboronic acid,2,4-dioxo-1h-pyrimidin-5-yl boronic acid,2,4-dioxo-1,3-dihydropyrimidin-5-ylboronic acid,t6mvmvj ebqq wln,5-dihydroxyboryluracil PubChem CID: 256205 IUPAC Name: (2,4-dioxo-1H-pyrimidin-5-yl)boronic acid SMILES: OB(O)C1=CNC(=O)NC1=O
| PubChem CID | 256205 |
|---|---|
| CAS | 70523-22-7 |
| Molecular Weight (g/mol) | 155.90 |
| MDL Number | MFCD01318983 |
| SMILES | OB(O)C1=CNC(=O)NC1=O |
| Synonym | uracil-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl boronic acid,2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid,2,4-dihydroxypyrimidine-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-ylboronic acid,2,4-dihydroxypyrimidin-5-ylboronic acid,2,4-dioxo-1h-pyrimidin-5-yl boronic acid,2,4-dioxo-1,3-dihydropyrimidin-5-ylboronic acid,t6mvmvj ebqq wln,5-dihydroxyboryluracil |
| IUPAC Name | (2,4-dioxo-1H-pyrimidin-5-yl)boronic acid |
| InChI Key | PVEJOCQTIVCDNO-UHFFFAOYSA-N |
| Molecular Formula | C4H5BN2O4 |
9-Vinylcarbazole, 98+%
CAS: 1484-13-5 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.25 MDL Number: MFCD00004966,MFCD00134336 InChI Key: KKFHAJHLJHVUDM-UHFFFAOYSA-N Synonym: 9-vinylcarbazole,n-vinylcarbazole,9-vinyl-9h-carbazole,9h-carbazole, 9-ethenyl,n-vinyl carbazole,vinylcarbazole,1-vinylcarbazole,poly 9-vinylcarbazole,carbazole, 9-vinyl,poly-n-vinylcarbazole PubChem CID: 15143 IUPAC Name: 9-ethenylcarbazole SMILES: C=CN1C2=C(C=CC=C2)C2=C1C=CC=C2
| PubChem CID | 15143 |
|---|---|
| CAS | 1484-13-5 |
| Molecular Weight (g/mol) | 193.25 |
| MDL Number | MFCD00004966,MFCD00134336 |
| SMILES | C=CN1C2=C(C=CC=C2)C2=C1C=CC=C2 |
| Synonym | 9-vinylcarbazole,n-vinylcarbazole,9-vinyl-9h-carbazole,9h-carbazole, 9-ethenyl,n-vinyl carbazole,vinylcarbazole,1-vinylcarbazole,poly 9-vinylcarbazole,carbazole, 9-vinyl,poly-n-vinylcarbazole |
| IUPAC Name | 9-ethenylcarbazole |
| InChI Key | KKFHAJHLJHVUDM-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |
Methyle2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate, 97%, Thermo Scientific™
CAS: 175137-27-6 Molecular Formula: C7H4ClF3N2O2 Molecular Weight (g/mol): 240.57 MDL Number: MFCD00068146 InChI Key: VLUBJYUOPNGBOQ-UHFFFAOYSA-N Synonym: methyl 2-chloro-4-trifluoromethyl pyrimidine-5-carboxylate,methyl 2-chloro-4-trifluoromethyl-5-pyrimidinecarboxylate,methylchlorotrifluoromethylpyrimidinecarboxylate,methyl-2-chloro-4-trifluoromethyl pyrimidine-5-carboxylate,acmc-20aifi,pubchem10174,2-chloro-4-trifluoromethyl-5-carbomethoxypyrimidine,methyl 2-chloro-4-trifluoromethyl pyrimidine-5-ca,2-chloro-5-methoxycarbonyl-4-trifluoromethylpyrimidine,2-chloro-5-methoxycarbonyl-4-trifluoromethyl pyrimidine PubChem CID: 3696469 IUPAC Name: methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate SMILES: COC(=O)C1=CN=C(Cl)N=C1C(F)(F)F
| PubChem CID | 3696469 |
|---|---|
| CAS | 175137-27-6 |
| Molecular Weight (g/mol) | 240.57 |
| MDL Number | MFCD00068146 |
| SMILES | COC(=O)C1=CN=C(Cl)N=C1C(F)(F)F |
| Synonym | methyl 2-chloro-4-trifluoromethyl pyrimidine-5-carboxylate,methyl 2-chloro-4-trifluoromethyl-5-pyrimidinecarboxylate,methylchlorotrifluoromethylpyrimidinecarboxylate,methyl-2-chloro-4-trifluoromethyl pyrimidine-5-carboxylate,acmc-20aifi,pubchem10174,2-chloro-4-trifluoromethyl-5-carbomethoxypyrimidine,methyl 2-chloro-4-trifluoromethyl pyrimidine-5-ca,2-chloro-5-methoxycarbonyl-4-trifluoromethylpyrimidine,2-chloro-5-methoxycarbonyl-4-trifluoromethyl pyrimidine |
| IUPAC Name | methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate |
| InChI Key | VLUBJYUOPNGBOQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3N2O2 |
D-Biotin, ≥97.5%, MP Biomedicals™
CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12
| PubChem CID | 171548 |
|---|---|
| CAS | 58-85-5 |
| Molecular Weight (g/mol) | 244.31 |
| ChEBI | CHEBI:15956 |
| MDL Number | MFCD00005541 |
| SMILES | OC(=O)CCCCC1SCC2NC(=O)NC12 |
| Synonym | biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid |
| InChI Key | YBJHBAHKTGYVGT-UHFFFAOYNA-N |
| Molecular Formula | C10H16N2O3S |
5-Fluorobenzoxazole, 97%, Thermo Scientific™
CAS: 221347-71-3 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.11 InChI Key: ZRMPAEOUOPNNPZ-UHFFFAOYSA-N Synonym: 5-fluorobenzoxazole,5-fluorobenzo d oxazole,benzoxazole, 5-fluoro,benzoxazole,5-fluoro,pubchem21888,5-fluoranyl-1,3-benzoxazole,benzoxazole, 5-fluoro-9ci PubChem CID: 19937167 IUPAC Name: 5-fluoro-1,3-benzoxazole SMILES: C1=CC2=C(C=C1F)N=CO2
| PubChem CID | 19937167 |
|---|---|
| CAS | 221347-71-3 |
| Molecular Weight (g/mol) | 137.11 |
| SMILES | C1=CC2=C(C=C1F)N=CO2 |
| Synonym | 5-fluorobenzoxazole,5-fluorobenzo d oxazole,benzoxazole, 5-fluoro,benzoxazole,5-fluoro,pubchem21888,5-fluoranyl-1,3-benzoxazole,benzoxazole, 5-fluoro-9ci |
| IUPAC Name | 5-fluoro-1,3-benzoxazole |
| InChI Key | ZRMPAEOUOPNNPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO |
3-Indolebutyric acid, 98%
CAS: 133-32-4 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.24 MDL Number: MFCD00005664 InChI Key: JTEDVYBZBROSJT-UHFFFAOYSA-N Synonym: indole-3-butyric acid,3-indolebutyric acid,4-1h-indol-3-yl butanoic acid,indolebutyric acid,hormodin,1h-indole-3-butanoic acid,seradix,indole-3-butanoic acid,jiffy grow,4-indol-3-yl butyric acid PubChem CID: 8617 ChEBI: CHEBI:33070 IUPAC Name: 4-(1H-indol-3-yl)butanoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
| PubChem CID | 8617 |
|---|---|
| CAS | 133-32-4 |
| Molecular Weight (g/mol) | 203.24 |
| ChEBI | CHEBI:33070 |
| MDL Number | MFCD00005664 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O |
| Synonym | indole-3-butyric acid,3-indolebutyric acid,4-1h-indol-3-yl butanoic acid,indolebutyric acid,hormodin,1h-indole-3-butanoic acid,seradix,indole-3-butanoic acid,jiffy grow,4-indol-3-yl butyric acid |
| IUPAC Name | 4-(1H-indol-3-yl)butanoic acid |
| InChI Key | JTEDVYBZBROSJT-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO2 |
Methyl 2,1,3-benzothiadiazole-5-carboxylate, 98%
CAS: 175204-21-4 Molecular Formula: C8H6N2O2S Molecular Weight (g/mol): 194.21 MDL Number: MFCD00173948 InChI Key: LRMFSMKHXKDUDG-UHFFFAOYSA-N Synonym: methyl benzo-2,1,3-thiadiazole-5-carboxylate,2,1,3-benzothiadiazole-5-carboxylicacid, methyl ester,methyl benzo c 1,2,5-thiadiazole-5-carboxylate,acmc-20akfm,methylbenzo-2,1,3-thiadiazole-5-carboxylate,methyl benzo 1,2,5 thiadiazole-5-carboxylate,methyl benzo c 1,2,5 thiadiazole-5-carboxylate,2,1,3-benzothiadiazole-5-carboxylic acid methyl ester,benzo 1,2,5 thiadiazole-5-carboxylic acid methyl ester PubChem CID: 696381 IUPAC Name: methyl 2,1,3-benzothiadiazole-5-carboxylate SMILES: COC(=O)C1=CC2=NSN=C2C=C1
| PubChem CID | 696381 |
|---|---|
| CAS | 175204-21-4 |
| Molecular Weight (g/mol) | 194.21 |
| MDL Number | MFCD00173948 |
| SMILES | COC(=O)C1=CC2=NSN=C2C=C1 |
| Synonym | methyl benzo-2,1,3-thiadiazole-5-carboxylate,2,1,3-benzothiadiazole-5-carboxylicacid, methyl ester,methyl benzo c 1,2,5-thiadiazole-5-carboxylate,acmc-20akfm,methylbenzo-2,1,3-thiadiazole-5-carboxylate,methyl benzo 1,2,5 thiadiazole-5-carboxylate,methyl benzo c 1,2,5 thiadiazole-5-carboxylate,2,1,3-benzothiadiazole-5-carboxylic acid methyl ester,benzo 1,2,5 thiadiazole-5-carboxylic acid methyl ester |
| IUPAC Name | methyl 2,1,3-benzothiadiazole-5-carboxylate |
| InChI Key | LRMFSMKHXKDUDG-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2S |
Cytochalasin B, >99%, For HPLC analysis, MP Biomedicals™
CAS: 14930-96-2 Molecular Formula: C29H37NO5 Molecular Weight (g/mol): 479.62 MDL Number: MFCD00077704 InChI Key: GBOGMAARMMDZGR-UHFFFAOYNA-N Synonym: cytochalasin b,cytochalasin b from helminthosporium dematioideum PubChem CID: 44634701 IUPAC Name: 16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,12aH,13H,14H,15H,15aH,16H,17H,18H-oxacyclotetradeca[3,2-e]isoindole-2,18-dione SMILES: CC1C2C(CC3=CC=CC=C3)NC(=O)C22OC(=O)C=CC(O)CCCC(C)CC=CC2C(O)C1=C
| PubChem CID | 44634701 |
|---|---|
| CAS | 14930-96-2 |
| Molecular Weight (g/mol) | 479.62 |
| MDL Number | MFCD00077704 |
| SMILES | CC1C2C(CC3=CC=CC=C3)NC(=O)C22OC(=O)C=CC(O)CCCC(C)CC=CC2C(O)C1=C |
| Synonym | cytochalasin b,cytochalasin b from helminthosporium dematioideum |
| IUPAC Name | 16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,12aH,13H,14H,15H,15aH,16H,17H,18H-oxacyclotetradeca[3,2-e]isoindole-2,18-dione |
| InChI Key | GBOGMAARMMDZGR-UHFFFAOYNA-N |
| Molecular Formula | C29H37NO5 |
5-Aminoindole, 97%
CAS: 5192-03-0 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00005679 InChI Key: ZCBIFHNDZBSCEP-UHFFFAOYSA-N Synonym: 5-aminoindole,indol-5-ylamine,indole, 5-amino,unii-q732pg0y16,1h-indol-5-ylamine,indole-5-ylamine,5-indolamine,5-amino indole,5-amino-indole PubChem CID: 78867 ChEBI: CHEBI:33067 IUPAC Name: 1H-indol-5-amine SMILES: NC1=CC=C2NC=CC2=C1
| PubChem CID | 78867 |
|---|---|
| CAS | 5192-03-0 |
| Molecular Weight (g/mol) | 132.17 |
| ChEBI | CHEBI:33067 |
| MDL Number | MFCD00005679 |
| SMILES | NC1=CC=C2NC=CC2=C1 |
| Synonym | 5-aminoindole,indol-5-ylamine,indole, 5-amino,unii-q732pg0y16,1h-indol-5-ylamine,indole-5-ylamine,5-indolamine,5-amino indole,5-amino-indole |
| IUPAC Name | 1H-indol-5-amine |
| InChI Key | ZCBIFHNDZBSCEP-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2 |
3-Hydroxypicolinic acid, 98%
CAS: 874-24-8 Molecular Formula: C6H4NO3 Molecular Weight (g/mol): 138.10 MDL Number: MFCD00006294 InChI Key: BRARRAHGNDUELT-UHFFFAOYSA-M Synonym: 3-hydroxypicolinic acid,3-hydroxy-2-pyridinecarboxylic acid,3-hydroxypicolinicacid,2-pyridinecarboxylic acid, 3-hydroxy,3-hpa,pyridinecarboxylic acid, hydroxy,3-hydroxypicolinate,3-hydroxypyridine-2-carboxylate,hydroxypicolinic acid PubChem CID: 13401 ChEBI: CHEBI:64342 SMILES: OC1=CC=CN=C1C([O-])=O
| PubChem CID | 13401 |
|---|---|
| CAS | 874-24-8 |
| Molecular Weight (g/mol) | 138.10 |
| ChEBI | CHEBI:64342 |
| MDL Number | MFCD00006294 |
| SMILES | OC1=CC=CN=C1C([O-])=O |
| Synonym | 3-hydroxypicolinic acid,3-hydroxy-2-pyridinecarboxylic acid,3-hydroxypicolinicacid,2-pyridinecarboxylic acid, 3-hydroxy,3-hpa,pyridinecarboxylic acid, hydroxy,3-hydroxypicolinate,3-hydroxypyridine-2-carboxylate,hydroxypicolinic acid |
| InChI Key | BRARRAHGNDUELT-UHFFFAOYSA-M |
| Molecular Formula | C6H4NO3 |
Adenine Sulfate, MP Biomedicals
CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.33 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m PubChem CID: 9449 IUPAC Name: bis(7H-purin-6-amine); sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
| PubChem CID | 9449 |
|---|---|
| CAS | 321-30-2 |
| Molecular Weight (g/mol) | 368.33 |
| MDL Number | MFCD00213655 |
| SMILES | OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1 |
| Synonym | adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m |
| IUPAC Name | bis(7H-purin-6-amine); sulfuric acid |
| InChI Key | LQXHSCOPYJCOMD-UHFFFAOYSA-N |
| Molecular Formula | C10H12N10O4S |
5-Methyl-3-phenylisoxazole-4-carbonyl chloride, 90%, Thermo Scientific™
CAS: 16883-16-2 Molecular Formula: C11H8ClNO2 Molecular Weight (g/mol): 221.64 MDL Number: MFCD00052205 InChI Key: HXEVQMXCHCDPSO-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452 PubChem CID: 85624 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl
| PubChem CID | 85624 |
|---|---|
| CAS | 16883-16-2 |
| Molecular Weight (g/mol) | 221.64 |
| MDL Number | MFCD00052205 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl |
| Synonym | 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452 |
| IUPAC Name | 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride |
| InChI Key | HXEVQMXCHCDPSO-UHFFFAOYSA-N |
| Molecular Formula | C11H8ClNO2 |
2-Methoxyquinoline-6-boronic acid pinacol ester, 96%, Thermo Scientific Chemicals
CAS: 1201644-36-1 Molecular Formula: C16H20BNO3 Molecular Weight (g/mol): 285.15 MDL Number: MFCD18383956 InChI Key: DVGWZOHNHYZTKK-UHFFFAOYSA-N Synonym: 2-methoxy-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl quinoline,2-methoxyquinoline-6-boronic acid pinacol ester PubChem CID: 58412383 IUPAC Name: 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(C=C3)OC
| PubChem CID | 58412383 |
|---|---|
| CAS | 1201644-36-1 |
| Molecular Weight (g/mol) | 285.15 |
| MDL Number | MFCD18383956 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(C=C3)OC |
| Synonym | 2-methoxy-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl quinoline,2-methoxyquinoline-6-boronic acid pinacol ester |
| IUPAC Name | 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
| InChI Key | DVGWZOHNHYZTKK-UHFFFAOYSA-N |
| Molecular Formula | C16H20BNO3 |
4-(1-Pyrrolidinyl)benzonitrile, ≥90%, Thermo Scientific™
CAS: 10282-30-1 Molecular Formula: C11H12N2 Molecular Weight (g/mol): 172.231 MDL Number: MFCD07368512 InChI Key: ZNMSYUCZLWETII-UHFFFAOYSA-N Synonym: 4-pyrrolidin-1-yl benzonitrile,4-1-pyrrolidinyl benzonitrile,4-pyrrolidin-1-yl-benzonitrile,benzonitrile,4-1-pyrrolidinyl,1-4-cyanophenyl pyrrolidine,4-pyrrolidinobenzonitrile,4-pyrrolidinylbenzonitrile,4-pyrrolidinylbenzenecarbonitrile,4-pyrrolidine-1-yl-benzonitrile PubChem CID: 4961271 IUPAC Name: 4-pyrrolidin-1-ylbenzonitrile SMILES: C1CCN(C1)C2=CC=C(C=C2)C#N
| PubChem CID | 4961271 |
|---|---|
| CAS | 10282-30-1 |
| Molecular Weight (g/mol) | 172.231 |
| MDL Number | MFCD07368512 |
| SMILES | C1CCN(C1)C2=CC=C(C=C2)C#N |
| Synonym | 4-pyrrolidin-1-yl benzonitrile,4-1-pyrrolidinyl benzonitrile,4-pyrrolidin-1-yl-benzonitrile,benzonitrile,4-1-pyrrolidinyl,1-4-cyanophenyl pyrrolidine,4-pyrrolidinobenzonitrile,4-pyrrolidinylbenzonitrile,4-pyrrolidinylbenzenecarbonitrile,4-pyrrolidine-1-yl-benzonitrile |
| IUPAC Name | 4-pyrrolidin-1-ylbenzonitrile |
| InChI Key | ZNMSYUCZLWETII-UHFFFAOYSA-N |
| Molecular Formula | C11H12N2 |