Cas no 180149-38-6 (Benzeneacetonitrile,4-amino-3-methyl-)
180149-38-6 structure
Product Name:Benzeneacetonitrile,4-amino-3-methyl-
CAS No:180149-38-6
MF:C9H10N2
MW:146.189101696014
CID:113365
PubChem ID:18621900
Update Time:2025-04-18
Benzeneacetonitrile,4-amino-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,4-amino-3-methyl-
- 2-(4-amino-3-methylphenyl)acetonitrile
- Benzeneacetonitrile, 4-amino-3-methyl- (9CI)
- SCHEMBL4712067
- (4-Amino-3-methyl-phenyl)-acetonitrile
- 4-cyanomethyl-2-methylaniline
- ACZFZZFUGILAFM-UHFFFAOYSA-N
- 180149-38-6
- AKOS006340731
- (4-Amino-3-methylphenyl)acetonitrile
- DTXSID00595209
-
- Inchi： 1S/C9H10N2/c1-7-6-8(4-5-10)2-3-9(7)11/h2-3,6H,4,11H2,1H3
- InChI Key： ACZFZZFUGILAFM-UHFFFAOYSA-N
- SMILES： NC1=CC=C(CC#N)C=C1C
Computed Properties
- Exact Mass: 146.0845
- 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: 1
- Complexity: 168
- 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
Experimental Properties
- PSA: 49.81
Benzeneacetonitrile,4-amino-3-methyl- Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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