Cas no 478837-24-0 (Benzonitrile, 4-amino-2,3-dimethyl- (9CI))
478837-24-0 structure
Product Name:Benzonitrile, 4-amino-2,3-dimethyl- (9CI)
CAS No:478837-24-0
MF:C9H10N2
MW:146.189101696014
CID:1023215
PubChem ID:19990335
Update Time:2025-04-20
Benzonitrile, 4-amino-2,3-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-amino-2,3-dimethyl- (9CI)
- 4-amino-2,3-dimethylbenzonitrile
- AKOS006365934
- DB-274682
- SCHEMBL1196089
- 478837-24-0
- RZLGAKPHIWIALW-UHFFFAOYSA-N
- BENZONITRILE, 4-AMINO-2,3-DIMETHYL-
- Benzonitrile,4-amino-2,3-dimethyl-(9ci)
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- Inchi： 1S/C9H10N2/c1-6-7(2)9(11)4-3-8(6)5-10/h3-4H,11H2,1-2H3
- InChI Key： RZLGAKPHIWIALW-UHFFFAOYSA-N
- SMILES： NC1=CC=C(C#N)C(C)=C1C
Computed Properties
- Exact Mass: 146.084
- Monoisotopic Mass: 146.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 179
- 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
- Topological Polar Surface Area: 49.8A^2
- XLogP3: 1.7
Benzonitrile, 4-amino-2,3-dimethyl- (9CI) Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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