Cas no 90765-18-7 (Benzeneacetonitrile,2-amino-3-methyl-)
90765-18-7 structure
Product Name:Benzeneacetonitrile,2-amino-3-methyl-
CAS No:90765-18-7
MF:C9H10N2
MW:146.189101696014
CID:798759
PubChem ID:45078954
Update Time:2025-04-19
Benzeneacetonitrile,2-amino-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,2-amino-3-methyl-
- Acetonitrile, (2-amino-m-tolyl)- (7CI)
- (2-Amino-3-methyl-phenyl)-acetonitrile
- ACETONITRILE,(2-AMINO-M-TOLYL)-
- 90765-18-7
- G10688
- (2-Amino-3-methylphenyl)acetonitrile
- AKOS006364517
- 2-(2-amino-3-methylphenyl)acetonitrile
-
- Inchi： 1S/C9H10N2/c1-7-3-2-4-8(5-6-10)9(7)11/h2-4H,5,11H2,1H3
- InChI Key： QTYRTNRMFUZQBD-UHFFFAOYSA-N
- SMILES： NC1C(C)=CC=CC=1CC#N
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: 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
- Topological Polar Surface Area: 49.8A^2
- XLogP3: 1.3
Benzeneacetonitrile,2-amino-3-methyl- Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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