4-Methylphenylacetonitrile
Properties
- Molecular formula
- C9H9N
- Molar mass
- 131.18 g/mol
- Exact mass
- 131.0735 Da
- Melting point
- 18 °C
- Boiling point
- 242.5 °C
- logP
- 2.06Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
2947-61-7SMILES
Cc1ccc(CC#N)cc1InChIKey
RNHKXHKUKJXLAU-UHFFFAOYSA-NInChI
InChI=1S/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzeneacetonitrile, 4-methyl-
- Acetonitrile, p-tolyl-
- 4-Methylbenzeneacetonitrile
- p-Methylbenzyl cyanide
- (p-Methylphenyl)acetonitrile
- p-Tolylacetonitrile
- 4-Methylbenzyl cyanide
- 4-Methylbenzylnitrile
- 2-(p-Tolyl)acetonitrile
- 2-(4-Methylphenyl)acetonitrile
- 4-Methylbenzyl isocyanide
Work with 4-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
Similar compounds
1,4-Benzenediacetonitrile622-75-371 % similar
(3-Cyanomethyl-5-methylphenyl)acetonitrile120511-74-264 % similar
3,5-Dimethylbenzeneacetonitrile39101-54-764 % similar
(3-Methylphenyl)acetonitrile2947-60-659 % similar
4-Benzylphenylacetonitrile101096-72-456 % similar
(4-Chlorophenyl)acetonitrile140-53-456 % similar
4-Hydroxybenzyl cyanide14191-95-856 % similar
(4-Bromophenyl)acetonitrile16532-79-956 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds