chempirical

2-Amino-5-methylbenzonitrile

C8H8N2CAS 5925-93-9132.17 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
5925-93-9
SMILES
CC1=CC(=C(C=C1)N)C#N
InChIKey
OZLMBXPYRDASTP-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2/c1-6-2-3-8(10)7(4-6)5-9/h2-4H,10H2,1H3

Weigh it out

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Names and synonyms

1 names
  • 2-Amino-5-methyl-benzonitrile

Work with 2-Amino-5-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

4-Methylphthalonitrile63089-50-964 % similar 2,5-Dimethylbenzonitrile13730-09-162 % similar 2,5-Diaminobenzonitrile14346-13-560 % similar 2-Amino-5-methoxybenzonitrile23842-82-258 % similar 2-Aminobenzonitrile1885-29-657 % similar 2-Amino-5-bromobenzonitrile39263-32-656 % similar 2-Bromo-5-methylbenzonitrile42872-83-356 % similar 2-Amino-5-chlorobenzonitrile5922-60-156 % 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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