3,5-Dimethylbenzeneacetonitrile
Properties
- Molecular formula
- C10H11N
- Molar mass
- 145.20 g/mol
- Exact mass
- 145.0891 Da
- Melting point
- 45 °C
- Boiling point
- 132 °C
- logP
- 2.37Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
39101-54-7SMILES
Cc1cc(C)cc(CC#N)c1InChIKey
LMUKNQSVBFEUKR-UHFFFAOYSA-NInChI
InChI=1S/C10H11N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzeneacetonitrile, 3,5-dimethyl-
- Acetonitrile, (3,5-xylyl)-
- (3,5-Dimethylphenyl)acetonitrile
- 3,5-Dimethylbenzyl cyanide
- 2-(3,5-Dimethylphenyl)acetonitrile
- 1-Cyanomethyl-3,5-dimethylbenzene
Work with 3,5-Dimethylbenzeneacetonitrile
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
(3-Cyanomethyl-5-methylphenyl)acetonitrile120511-74-290 % similar
(3-Methylphenyl)acetonitrile2947-60-667 % similar
4-Methylphenylacetonitrile2947-61-764 % similar
2,4,6-Trimethylbenzeneacetonitrile34688-71-659 % similar
1,4-Benzenediacetonitrile622-75-352 % similar
3,5-Dimethylbenzyl chloride2745-54-252 % similar
3,5-Difluorophenylacetonitrile122376-76-552 % similar
1,3-Benzenediacetonitrile626-22-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds