Cas no 61404-76-0 (1H-Pyrrole-3-carbonitrile, 2-amino-4-methyl-5-phenyl-)
61404-76-0 structure
Product Name:1H-Pyrrole-3-carbonitrile, 2-amino-4-methyl-5-phenyl-
CAS No:61404-76-0
MF:C12H11N3
MW:197.235841989517
CID:480663
PubChem ID:10176540
Update Time:2025-04-19
1H-Pyrrole-3-carbonitrile, 2-amino-4-methyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carbonitrile, 2-amino-4-methyl-5-phenyl-
- 2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carbonitrile
- BKPMMOWMLAPMOS-UHFFFAOYSA-N
- 61404-76-0
- DTXSID40436440
- 3-cyano-4-methyl-2-amino-5-phenylpyrrole
- SCHEMBL5747051
- 2-amino-3-cyano-4-methyl-5-phenylpyrrole
-
- Inchi： 1S/C12H11N3/c1-8-10(7-13)12(14)15-11(8)9-5-3-2-4-6-9/h2-6,15H,14H2,1H3
- InChI Key： BKPMMOWMLAPMOS-UHFFFAOYSA-N
- SMILES： N1C(=C(C#N)C(C)=C1C1C=CC=CC=1)N
Computed Properties
- Exact Mass: 197.09543
- Monoisotopic Mass: 197.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 261
- 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: 2.7
- Topological Polar Surface Area: 65.6?2
Experimental Properties
- PSA: 65.6
1H-Pyrrole-3-carbonitrile, 2-amino-4-methyl-5-phenyl- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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