chempirical

4-Chlorobenzhydrylamine hydrochloride

C13H13Cl2NCAS 5267-39-0254.15 g/mol

Open in Covalent MOL file
HClH2NCl
Aryl halidePrimary amine

Properties

Molecular formula
C13H13Cl2N
Molar mass
254.15 g/mol
Exact mass
253.0425 Da
Melting point
304–305 °C (decomposes)
logP
3.81Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
5267-39-0
SMILES
Cl.NC(c1ccccc1)c1ccc(Cl)cc1
InChIKey
UHPRBUXOILBKFH-UHFFFAOYSA-N
InChI
InChI=1S/C13H12ClN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H

Weigh it out

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

Names and synonyms

6 names
  • Benzenemethanamine, 4-chloro-α-phenyl-, hydrochloride (1:1)
  • Benzylamine, p-chloro-α-phenyl-, hydrochloride
  • Benzenemethanamine, 4-chloro-α-phenyl-, hydrochloride
  • p-Chloro-α-phenylbenzylamine hydrochloride
  • NSC 23816
  • (4-Chlorophenyl)(phenyl)methanamine hydrochloride

Work with 4-Chlorobenzhydrylamine 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 hydrochloride5267-34-572 % similar Benzhydrylamine91-00-960 % similar 4-Chlorobenzhydryl chloride134-83-853 % similar 4-Chlorobenzhydrol119-56-252 % similar Cloperastine hydrochloride14984-68-044 % similar (+)-1-(4-Chlorophenyl)ethylamine27298-99-344 % similar (-)-1-(4-Chlorophenyl)ethylamine4187-56-844 % similar 1-(4-Chlorophenyl)ethylamine6299-02-144 % similar

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

Elsewhere

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