4-(Phenylmethoxy)aniline hydrochloride

C₁₃H₁₄ClNOCAS 51388-20-6235.71 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₃H₁₄ClNO
Molar mass: 235.71 g/mol
Exact mass: 235.0764 Da
Melting point: 222–223 °C
logP: 3.27Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed41.1% of notifiers
H315 Causes skin irritation57.5% of notifiers
H317 May cause an allergic skin reaction41.1% of notifiers
H319 Causes serious eye irritation98.6% of notifiers
H335 May cause respiratory irritation57.5% of notifiers

Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

51388-20-6

SMILES

Cl.Nc1ccc(OCc2ccccc2)cc1

InChIKey

KQBDLOVXZHOAJI-UHFFFAOYSA-N

InChI

InChI=1S/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H

Weigh it out

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

Names and synonyms

8 names

Benzenamine, 4-(phenylmethoxy)-, hydrochloride (1:1)
Benzenamine, 4-(phenylmethoxy)-, hydrochloride
p-(Benzyloxy)aniline hydrochloride
4-(Benzyloxy)aniline hydrochloride
4-Benzyloxyaniline hydrochloric acid salt
4-Benzyloxyphenylamine hydrochloride
4-[(Phenylmethyl)oxy]aniline hydrochloride
4-Benzyloxyaniline hydrochloride

Work with 4-(Phenylmethoxy)aniline 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

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-Benzyloxyaniline6373-46-2Free base

Similar compounds

Hydroquinone dibenzyl ether621-91-069 % similar (p-Benzyloxyphenyl)hydrazine hydrochloride52068-30-167 % similar Benzyl phenyl ether946-80-563 % similar 3-(Benzyloxy)aniline1484-26-061 % similar Benzenamine, 4-(phenylmethyl)-, hydrochloride (1:1)6317-57-360 % similar Monobenzone103-16-256 % similar 4-Benzyloxyiodobenzene19578-68-856 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Methoxy-[1,1'-biphenyl]-3-amine hydrochloride92028-21-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook