4-(Aminomethyl)benzonitrile hydrochloride

C₈H₉ClN₂CAS 15996-76-6168.62 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₈H₉ClN₂
Molar mass: 168.62 g/mol
Exact mass: 168.0454 Da
logP: 1.44Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

15996-76-6

SMILES

C1=CC(=CC=C1CN)C#N.Cl

InChIKey

QREZLLYPLRPULF-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2.ClH/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H,5,9H2;1H

Weigh it out

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

Work with 4-(Aminomethyl)benzonitrile hydrochloride

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

Benzylammonium chloride3287-99-856 % similar 4-Hydrazinobenzonitrile monohydrochloride2863-98-152 % similar 4-Cyanobenzyl bromide17201-43-350 % similar 4-Ethylbenzonitrile25309-65-350 % similar 4-Bromobenzylamine hydrochloride26177-44-650 % similar P-Xylylenediamine539-48-050 % similar 1,4-Dicyanobenzene623-26-750 % similar 4-Cyanobenzyl chloride874-86-250 % similar

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

Same formula

α-Aminophenylacetonitrile hydrochloride53641-60-4

Elsewhere

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