α-Aminophenylacetonitrile hydrochloride

C₈H₉ClN₂CAS 53641-60-4168.62 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
Melting point: 175–176 °C
logP: 1.63Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

53641-60-4

SMILES

Cl.N#CC(N)c1ccccc1

InChIKey

OGSYCVCLXAFDNE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Benzeneacetonitrile, α-amino-, hydrochloride (1:1)
Benzeneacetonitrile, α-amino-, monohydrochloride
Glycinonitrile, 2-phenyl-, monohydrochloride
1-Phenylglycinonitrile hydrochloride
2-Amino-2-phenylacetonitrile hydrochloride
[(Cyano)(phenyl)methyl]amine hydrochloride
2-Amino-2-phenylethanenitrile hydrochloride

Work with α-Aminophenylacetonitrile 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

1,1-Diphenylmethylamine hydrochloride5267-34-552 % similar (+)-Mandelonitrile10020-96-943 % similar 2-Phenylpropionitrile1823-91-243 % similar Mandelonitrile532-28-543 % similar 4-Chlorobenzhydrylamine hydrochloride5267-39-041 % similar Rel-(1R,2R)-1,2-diphenyl-1,2-ethanediamine16635-95-341 % similar (-)-(S,S)-1,2-Diphenylethylenediamine29841-69-841 % similar Diphenylethylenediamine35132-20-841 % similar

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

Same formula

4-(Aminomethyl)benzonitrile hydrochloride15996-76-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook