chempirical

4-Ethylphenylacetonitrile

C10H11NCAS 51632-28-1145.20 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C10H11N
Molar mass
145.20 g/mol
Exact mass
145.0891 Da
logP
2.32Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

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
51632-28-1
SMILES
CCC1=CC=C(C=C1)CC#N
InChIKey
NCPKDFDQDZMXCO-UHFFFAOYSA-N
InChI
InChI=1S/C10H11N/c1-2-9-3-5-10(6-4-9)7-8-11/h3-6H,2,7H2,1H3

Weigh it out

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Work with 4-Ethylphenylacetonitrile

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

1,4-Benzenediacetonitrile622-75-371 % similar 4-Methylphenylacetonitrile2947-61-762 % similar Benzyl cyanide140-29-458 % similar 1,4-Diethylbenzene105-05-557 % similar 2-(4-Ethoxyphenyl)acetonitrile6775-77-557 % similar 4-Benzylphenylacetonitrile101096-72-456 % similar (4-Chlorophenyl)acetonitrile140-53-456 % similar 4-Hydroxybenzyl cyanide14191-95-856 % similar

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

Same formula

2,5-Dimethylindole1196-79-8 2,5-Dimethylbenzeneacetonitrile16213-85-7 4-Ethynyl-N,N-dimethylaniline17573-94-3 Benzenebutanenitrile2046-18-6 7-Ethylindole22867-74-9 2,4,6-Trimethylbenzonitrile2571-52-0 3,5-Dimethylbenzeneacetonitrile39101-54-7 α-Ethylbenzeneacetonitrile769-68-6

Elsewhere

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