chempirical

5-Amino-2-methylbenzonitrile

C8H8N2CAS 50670-64-9132.17 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

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

Identifiers

CAS number
50670-64-9
SMILES
CC1=C(C=C(C=C1)N)C#N
InChIKey
YDZVQWCVKXYGIU-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,10H2,1H3

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Work with 5-Amino-2-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-Amino-1,2-benzenedicarbonitrile56765-79-864 % similar 2,5-Dimethylbenzonitrile13730-09-162 % similar 2,5-Diaminobenzonitrile14346-13-560 % similar 5-Bromo-2-methylbenzonitrile156001-51-356 % similar 5-Amino-2-chlorobenzonitrile35747-58-156 % similar 5-Chloro-2-methylbenzonitrile50712-70-456 % similar 5-Amino-2-fluorobenzonitrile53312-81-556 % similar 5-Fluoro-2-methylbenzonitrile77532-79-756 % 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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