3,4-Dimethylbenzonitrile

C₉H₉NCAS 22884-95-3131.18 g/mol

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Properties

Molecular formula: C₉H₉N
Molar mass: 131.18 g/mol
Exact mass: 131.0735 Da
Melting point: 69–69.5 °C
Boiling point: 118–122 °C (at 15 Torr)
logP: 2.18Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

22884-95-3

SMILES

Cc1ccc(C#N)cc1C

InChIKey

OWISXYQFTOYGRO-UHFFFAOYSA-N

InChI

InChI=1S/C9H9N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,1-2H3

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Names and synonyms

2 names

Benzonitrile, 3,4-dimethyl-
1,2-Dimethyl-4-cyanobenzene

Work with 3,4-Dimethylbenzonitrile

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

Same formula

2,5-Dimethylbenzonitrile13730-09-1 4-Methylindole16096-32-5 2-Phenylpropionitrile1823-91-2 2,4-Dimethylbenzonitrile21789-36-6 2-Methylphenylacetonitrile22364-68-7 3,5-Dimethylbenzonitrile22445-42-7 4-Ethylbenzonitrile25309-65-3 2,6-Dimethylphenyl isocyanide2769-71-3

Elsewhere

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