chempirical

2-Methylphenylacetonitrile

C9H9NCAS 22364-68-7131.18 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C9H9N
Molar mass
131.18 g/mol
Exact mass
131.0735 Da
Melting point
142–143 °C
Boiling point
244 °C
logP
2.06Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
22364-68-7
SMILES
Cc1ccccc1CC#N
InChIKey
WMGVPDQNPUQRND-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • Benzeneacetonitrile, 2-methyl-
  • Acetonitrile, o-tolyl-
  • 2-Methylbenzeneacetonitrile
  • o-Tolylacetonitrile
  • 2-Methylbenzyl cyanide
  • o-Methylphenylacetonitrile
  • o-Methylbenzyl cyanide
  • o-Methylbenzyl nitrile
  • NSC 75859
  • 2-(o-Tolyl)acetonitrile
  • 2-(2-Methylphenyl)acetonitrile

Work with 2-Methylphenylacetonitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

2,5-Dimethylbenzonitrile13730-09-1 4-Methylindole16096-32-5 2-Phenylpropionitrile1823-91-2 2,4-Dimethylbenzonitrile21789-36-6 3,5-Dimethylbenzonitrile22445-42-7 3,4-Dimethylbenzonitrile22884-95-3 4-Ethylbenzonitrile25309-65-3 2,6-Dimethylphenyl isocyanide2769-71-3

Elsewhere

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