Cas no 29949-16-4 (Benzeneacetonitrile, a-phenyl-a-propyl-)
29949-16-4 structure
Product Name:Benzeneacetonitrile, a-phenyl-a-propyl-
CAS No:29949-16-4
MF:C17H17N
MW:235.323584318161
CID:260537
PubChem ID:292520
Update Time:2025-04-19
Benzeneacetonitrile, a-phenyl-a-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile, a-phenyl-a-propyl-
- 2,2-diphenylpentanenitrile
- 2,2-Diphenyl-pentansaeurenitril
- 2,2-Diphenyl-valeronitril
- 2,2-diphenyl-valeronitrile
- AC1L6I6C
- AC1Q2UIC
- AC1Q4QO9
- AR-1D1652
- CTK4G4122
- DIPHENYLVALERONITRILE
- NSC158338
- SureCN4014770
- SCHEMBL4014770
- 29949-16-4
- NSC-158338
- DTXSID10303438
-
- Inchi： 1S/C17H17N/c1-2-13-17(14-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13H2,1H3
- InChI Key： TTZNNJWAZPMWGF-UHFFFAOYSA-N
- SMILES： N#CC(C1C=CC=CC=1)(C1C=CC=CC=1)CCC
Computed Properties
- Exact Mass: 235.13621
- Monoisotopic Mass: 235.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 268
- 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: 4.5
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- Density: 1.027
- Boiling Point: 354.4°Cat760mmHg
- Flash Point: 172.9°C
- Refractive Index: 1.555
- PSA: 23.79
- LogP: 4.29638
Benzeneacetonitrile, a-phenyl-a-propyl- Related Literature
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
29949-16-4 (Benzeneacetonitrile, a-phenyl-a-propyl-) Related Products
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