4-Butylbenzonitrile

C₁₁H₁₃NCAS 20651-73-4159.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₃N
Molar mass: 159.23 g/mol
Exact mass: 159.1048 Da
Boiling point: 154 °C
logP: 2.90Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

20651-73-4

SMILES

CCCCc1ccc(C#N)cc1

InChIKey

KGZNJCXNPLUEQS-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3

Weigh it out

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

Names and synonyms

4 names

Benzonitrile, 4-butyl-
Benzonitrile, p-butyl-
p-Cyanobutylbenzene
p-Butylbenzonitrile

Work with 4-Butylbenzonitrile

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

4′-Butyl-4-cyanobiphenyl52709-83-888 % similar 4-Cyano-4'-pentylbiphenyl40817-08-179 % similar 4′′-Pentyl-4-cyano-P-terphenyl54211-46-079 % similar 6Cb41122-70-776 % similar 4′-Heptyl-4-cyanobiphenyl41122-71-876 % similar 8Cb52709-84-976 % similar 3Cb58743-76-371 % similar 4-Ethylbenzonitrile25309-65-363 % similar

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

Same formula

1,2,3,6-Tetrahydro-4-phenylpyridine10338-69-9 2,3,3-Trimethylindolenine1640-39-7 2,4,6-Trimethylbenzeneacetonitrile34688-71-6 1-Ethyl-2-methyl-1H-indole40876-94-6 4-(1,1-Dimethylethyl)benzonitrile4210-32-6

Elsewhere

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