chempirical

2-Amino-4-methylbenzonitrile

C8H8N2CAS 26830-96-6132.17 g/mol

Open in Covalent MOL file
NNH2
NitrilePrimary amine

Properties

Molecular formula
C8H8N2
Molar mass
132.17 g/mol
Exact mass
132.0687 Da
Melting point
59–60 °C
Boiling point
150–152 °C (at 15 Torr)
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
26830-96-6
SMILES
Cc1ccc(C#N)c(N)c1
InChIKey
LGNVAEIITHYWCG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,10H2,1H3

Weigh it out

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Names and synonyms

6 names
  • Benzonitrile, 2-amino-4-methyl-
  • p-Tolunitrile, 2-amino-
  • 2-Amino-p-toluonitrile
  • 4-Methylanthranilonitrile
  • 2-Cyano-5-methylaniline
  • 4-Methyl-2-aminobenzonitrile

Work with 2-Amino-4-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-Amino-5-methylbenzonitrile5925-93-972 % similar 4-Methylphthalonitrile63089-50-964 % similar 2,4-Dimethylbenzonitrile21789-36-660 % similar 2-Aminobenzonitrile1885-29-657 % similar 2,5-Dimethylbenzonitrile13730-09-157 % similar 2-Amino-4-chlorobenzonitrile38487-86-456 % similar 2-Bromo-4-methylbenzonitrile42872-73-156 % similar 2-Fluoro-4-methylbenzonitrile85070-67-356 % 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 Phenylglycine nitrile2973-50-4 2-(Phenylamino)acetonitrile3009-97-0 3-Methyl-1H-indazole3176-62-3 4-Aminophenylacetonitrile3544-25-0

Elsewhere

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