Cas no 103418-06-0 (1H-Pyrrole-3-carbonitrile,4-(4-methylphenyl)-)
103418-06-0 structure
Product Name:1H-Pyrrole-3-carbonitrile,4-(4-methylphenyl)-
CAS No:103418-06-0
MF:C12H10N2
MW:182.221202373505
CID:125654
PubChem ID:13631863
Update Time:2025-04-18
1H-Pyrrole-3-carbonitrile,4-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carbonitrile,4-(4-methylphenyl)-
- 4-(4-METHYLPHENYL)-1H-PYRROLE-3-CARBONITRILE
- 4-(4-methylphenyl)pyrrole-3-carbonitrile
- ACMC-20m69i
- AG-D-14197
- AGN-PC-00NH3Y
- CTK4A2068
- SureCN9042765
- SCHEMBL9042765
- JMKOPUWHEINMLK-UHFFFAOYSA-N
- AKOS006326466
- 103418-06-0
- DTXSID70545473
- 4-(p-Tolyl)-1H-pyrrole-3-carbonitrile
-
- Inchi： 1S/C12H10N2/c1-9-2-4-10(5-3-9)12-8-14-7-11(12)6-13/h2-5,7-8,14H,1H3
- InChI Key： JMKOPUWHEINMLK-UHFFFAOYSA-N
- SMILES： N1C=C(C#N)C(=C1)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 182.08400
- Monoisotopic Mass: 182.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 232
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 39.6?2
Experimental Properties
- PSA: 39.58000
- LogP: 2.86178
1H-Pyrrole-3-carbonitrile,4-(4-methylphenyl)- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
103418-06-0 (1H-Pyrrole-3-carbonitrile,4-(4-methylphenyl)-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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