α-Aminophenylacetonitrile hydrochloride

C8H9ClN2CAS 53641-60-4168.62 g/mol

Open in Covalent MOL file
HClNH2N
NitrilePrimary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

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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

2-Amino-2-(4-fluorophenyl)acetonitrile56464-70-157 % similar Benzhydrylammonium chloride5267-34-552 % similar 2,3-Diphenylbutanedinitrile15146-07-348 % similar Diphenylacetonitrile86-29-348 % similar (+)-Mandelonitrile10020-96-943 % similar 2-Phenylpropionitrile1823-91-243 % similar Mandelonitrile532-28-543 % similar 4-Chlorobenzhydrylamine hydrochloride5267-39-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Aminomethyl)benzonitrile hydrochloride15996-76-6

Elsewhere

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