Benzhydrylammonium chloride

C₁₃H₁₄ClNCAS 5267-34-5219.71 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₄ClN
Molar mass: 219.71 g/mol
Exact mass: 219.0815 Da
Melting point: 287 °C
Boiling point: 205–207 °C (at 4 Torr)
logP: 3.16Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

5267-34-5

SMILES

Cl.NC(c1ccccc1)c1ccccc1

InChIKey

CIHWJRSPVJBHGT-UHFFFAOYSA-N

InChI

InChI=1S/C13H13N.ClH/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H,14H2;1H

Weigh it out

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

Names and synonyms

5 names

Benzenemethanamine, α-phenyl-, hydrochloride (1:1)
Methylamine, 1,1-diphenyl-, hydrochloride
Benzenemethanamine, α-phenyl-, hydrochloride
Benzhydrylamine hydrochloride
1,1-Diphenylmethylamine hydrochloride

Work with Benzhydrylammonium chloride

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.

Benzhydrylamine91-00-9Free base

Similar compounds

4-Chlorobenzhydrylamine hydrochloride5267-39-072 % similar 9H-Fluoren-9-amine hydrochloride5978-75-652 % similar α-Aminophenylacetonitrile hydrochloride53641-60-452 % similar Rel-(1R,2R)-1,2-Diphenyl-1,2-ethanediamine16635-95-350 % similar (1S,2S)-1,2-Diphenylethane-1,2-diamine29841-69-850 % similar Diphenylethylenediamine35132-20-850 % similar Phenylpropanolamine hydrochloride154-41-647 % similar D-(-)-Norephedrine hydrochloride3198-15-047 % similar

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

Same formula

4-Cyclopropylnaphthalen-1-amine hydrochloride1533519-92-4 Benzenamine, 4-(phenylmethyl)-, hydrochloride (1:1)6317-57-3 2-Phenylbenzylamine hcl854207-87-7

Elsewhere

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