Cas no 54684-08-1 (Benzenepropanenitrile, 3-amino-)
54684-08-1 structure
Product Name:Benzenepropanenitrile, 3-amino-
CAS No:54684-08-1
MF:C9H10N2
MW:146.189101696014
CID:335944
PubChem ID:19610667
Update Time:2025-04-19
Benzenepropanenitrile, 3-amino- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanenitrile, 3-amino-
- 3-(3-aminophenyl)propanenitrile
- 3-(3-Amino-phenyl)-propionitrile
- ZNNDGDPOEGUOFU-UHFFFAOYSA-N
- AKOS006340339
- 54684-08-1
- DTXSID40599069
- SCHEMBL2062022
-
- Inchi： 1S/C9H10N2/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7H,2,4,11H2
- InChI Key： ZNNDGDPOEGUOFU-UHFFFAOYSA-N
- SMILES： NC1=CC=CC(=C1)CCC#N
Computed Properties
- Exact Mass: 146.084398327g/mol
- Monoisotopic Mass: 146.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 156
- 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: 1
- Topological Polar Surface Area: 49.8?2
Benzenepropanenitrile, 3-amino- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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