chempirical

2-Ethylbenzonitrile

C9H9NCAS 34136-59-9131.18 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C9H9N
Molar mass
131.18 g/mol
Exact mass
131.0735 Da
logP
2.12Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
34136-59-9
SMILES
CCC1=CC=CC=C1C#N
InChIKey
UZDXATQPJOOHQJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2H2,1H3

Weigh it out

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

Work with 2-Ethylbenzonitrile

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

Similar compounds

2-Cyanobenzyl bromide22115-41-957 % similar 2-Cyanobenzeneacetonitrile3759-28-257 % similar 2-Cyanobenzyl chloride612-13-557 % similar 1,2-Diethylbenzene135-01-357 % similar Phthalonitrile91-15-652 % similar 7-Indolinecarbonitrile115661-82-048 % similar 2-Cyanobenzeneacetic acid18698-99-247 % similar 2-Ethoxybenzonitrile6609-57-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,5-Dimethylbenzonitrile13730-09-1 4-Methylindole16096-32-5 (1-Isocyanoethyl)benzene17329-20-3 2-Phenylpropionitrile1823-91-2 2,4-Dimethylbenzonitrile21789-36-6 2-Methylphenylacetonitrile22364-68-7 3,5-Dimethylbenzonitrile22445-42-7 3,4-Dimethylbenzonitrile22884-95-3

Elsewhere

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