CAS 51388-20-6|4-(benzyloxy)aniline hydrochloride|aniline, p-benzyloxy- hydrochloride|4-(Benzyloxy)aniline hydrochloride|p-BENZYLOXYANILINE HYDROCHLORIDE|4-Aminophenyl benzyl ether hydrochloride|4-苄...

General Information

Structure

Molecular Formula

C₁₃H₁₄ClNO

Molecular Mass

235.70936

Exact Mass

235.07639175

Charge

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

InChIKey

KQBDLOVXZHOAJI-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1)OCc1ccccc1.Cl

Isomeric Smiles

Nc1ccc(cc1)OCc1ccccc1.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.5816996

LogD (pH = 7.4)

2.709224

Log P

2.7111218

Molar Refractivity

61.8342

Polarizability

23.604925

Polar Surface Area

35.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4-(benzyloxy)aniline hydrochloride

IUPAC Traditional name

aniline, p-benzyloxy- hydrochloride

Synonyms

4-(Benzyloxy)aniline hydrochloridep-BENZYLOXYANILINE HYDROCHLORIDE4-Aminophenyl benzyl ether hydrochloride4-苄氧基苯胺盐酸盐4-氨基苯基苄醚盐酸盐4-(Benzyloxy)aniline hydrochloride4-苯甲氧基苯胺盐酸盐4-Benzyloxyaniline hydrochloride

Names and Identifiers

Registration numbers

MDL Number

EC Number

CAS Number

Beilstein Number

PubChem SID

2484826616203461724847293