4-(Aminomethyl)benzonitrile hydrochloride

C8H9ClN2CAS 15996-76-6168.62 g/mol

Open in Covalent MOL file
NH2NHCl
NitrilePrimary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Cyanobenzylamine10406-25-4Free base

Similar compounds

4,4'-(1-Methylene) bis-benzonitrile10466-37-256 % similar Benzylammonium chloride3287-99-856 % similar 4-(Hydroxymethyl)benzonitrile874-89-552 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Aminophenylacetonitrile hydrochloride53641-60-4

Elsewhere

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