4-Amino-3-methylbenzonitrile

C₈H₈N₂CAS 78881-21-7132.17 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₈H₈N₂
Molar mass: 132.17 g/mol
Exact mass: 132.0687 Da
logP: 1.45Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

78881-21-7

SMILES

CC1=C(C=CC(=C1)C#N)N

InChIKey

MBZDCUMFFPWLTJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,10H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Amino-3-methylbenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Amino-4-methylbenzonitrile60710-80-772 % similar 3,4-Diaminobenzonitrile17626-40-364 % similar 3,4-Dimethylbenzonitrile22884-95-364 % similar 4-Amino-3,5-dimethylbenzonitrile74896-24-557 % similar 4-Fluoro-3-methylbenzonitrile185147-08-456 % similar 4-Amino-3-chlorobenzonitrile21803-75-856 % similar 4-Bromo-3-methylbenzonitrile41963-20-656 % similar 4-Amino-3-bromobenzonitrile50397-74-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Cyanobenzylamine10406-25-4 1-Methylbenzimidazole1632-83-3 5-Methyl-1H-indazole1776-37-0 2-Methyl-7-azaindole23612-48-8 2-Amino-4-methylbenzonitrile26830-96-6 2-Aminobenzeneacetonitrile2973-50-4 2-(Phenylamino)acetonitrile3009-97-0 3-Methyl-1H-indazole3176-62-3

Elsewhere

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