2,5-Dimethylbenzonitrile

C₉H₉NCAS 13730-09-1131.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉N
Molar mass: 131.18 g/mol
Exact mass: 131.0735 Da
Melting point: −3–6 °C
Boiling point: 104–105 °C (at 18 Torr)
logP: 2.18Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

13730-09-1

SMILES

Cc1ccc(C)c(C#N)c1

InChIKey

OZOQTENKIVKILK-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Benzonitrile, 2,5-dimethyl-

Work with 2,5-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

4-Methylindole16096-32-5 2-Phenylpropionitrile1823-91-2 2,4-Dimethylbenzonitrile21789-36-6 2-Methylphenylacetonitrile22364-68-7 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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