Benzenamine, 4-(phenylmethyl)-, hydrochloride (1:1)

C₁₃H₁₄ClNCAS 6317-57-3219.71 g/mol

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Properties

Molecular formula: C₁₃H₁₄ClN
Molar mass: 219.71 g/mol
Exact mass: 219.0815 Da
Melting point: 219 °C
logP: 3.28Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number

6317-57-3

SMILES

Cl.Nc1ccc(Cc2ccccc2)cc1

InChIKey

GQGXIDBMRPMPCD-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Benzenamine, 4-(phenylmethyl)-, hydrochloride

Work with Benzenamine, 4-(phenylmethyl)-, hydrochloride (1:1)

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-Benzylaniline1135-12-2Free base

Similar compounds

4,4′-Methylenedianiline101-77-968 % similar Benzenamine hydrochloride (1:1)142-04-161 % similar 3,4'-Diaminodiphenylmethane19430-83-261 % similar 4-(Phenylmethoxy)aniline hydrochloride51388-20-660 % similar Diphenylmethane101-81-555 % similar 1,4-Diaminobenzene dihydrochloride624-18-055 % similar 4-(4-Pyridylmethyl)aniline27692-74-654 % similar 4-Phenylazobenzamine monohydrochloride3457-98-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Cyclopropylnaphthalen-1-amine hydrochloride1533519-92-4 Benzhydrylammonium chloride5267-34-5 2-Phenylbenzylamine hcl854207-87-7

Elsewhere

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