2-Amino-6-methylbenzonitrile

C8H8N2CAS 56043-01-7132.17 g/mol

Open in Covalent MOL file
NH2N
NitrilePrimary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
56043-01-7
SMILES
CC1=C(C(=CC=C1)N)C#N
InChIKey
PKOMYWHVCYHAHW-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2/c1-6-3-2-4-8(10)7(6)5-9/h2-4H,10H2,1H3

Weigh it out

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

Work with 2-Amino-6-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

2,6-Dimethylbenzonitrile6575-13-969 % similar 2-Chloro-6-methylbenzonitrile6575-09-358 % similar 2-Amino-6-chlorobenzonitrile6575-11-758 % similar 2-Amino-6-bromobenzonitrile77326-62-658 % similar 2-Fluoro-6-methylbenzonitrile198633-76-056 % similar 2-Amino-6-fluorobenzonitrile77326-36-456 % similar O-Toluidine95-53-456 % similar 2,3-Xylidine87-59-252 % 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 Phenylglycine nitrile2973-50-4 2-(Phenylamino)acetonitrile3009-97-0 3-Methyl-1H-indazole3176-62-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook