Cas no 17583-00-5 (Benzonitrile, 2-(phenylamino)-)
17583-00-5 structure
Product Name:Benzonitrile, 2-(phenylamino)-
CAS No:17583-00-5
MF:C13H10N2
MW:194.231902599335
CID:237202
PubChem ID:252880
Update Time:2025-04-19
Benzonitrile, 2-(phenylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2-(phenylamino)-
- 2-(phenylamino)benzonitrile
- 2-phenylaminobenzonitrile
- N-phenyl-anthranilonitrile
- Anilin-Benzonitril
- 17583-00-5
- AKOS000260864
- CQPPEKZIPAHVKL-UHFFFAOYSA-N
- 2-anilinobenzonitrile
- NSC75186
- NSC-75186
- DTXSID40938712
- SCHEMBL4188631
-
- Inchi： 1S/C13H10N2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9,15H
- InChI Key： CQPPEKZIPAHVKL-UHFFFAOYSA-N
- SMILES： N(C1C=CC=CC=1)C1C=CC=CC=1C#N
Computed Properties
- Exact Mass: 194.08400
- Monoisotopic Mass: 194.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 234
- 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: 3.7
- Topological Polar Surface Area: 35.8?2
Experimental Properties
- PSA: 35.82000
- LogP: 3.37488
Benzonitrile, 2-(phenylamino)- Related Literature
-
1. Thermal decomposition of tert-butyl o-(phenoxy)- and o-(anilino)phenyliminoxyperacetatesGianluca Calestani,Rino Leardini,Hamish McNab,Daniele Nanni,Giuseppe Zanardi J. Chem. Soc. Perkin Trans. 1 1998 1813
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