CAS 2052-46-2|N,N-DIMETHYL-p-PHENYLENEDIAMINE HYDROCHLORIDE (MONO)|dimethyl-p-phenylenediamine hydrochloride|1-N,1-N-dimethylbenzene-1,4-diamine hydrochloride|N,N-Dimethyl-p-phenylenediamine monohyd...

General Information

Structure

Molecular Formula

C₈H₁₃ClN₂

Molecular Mass

172.65522

Exact Mass

172.07672611

Charge

InChI

InChI=1S/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,9H2,1-2H3;1H

InChIKey

KTWNIUBGGFBRKH-UHFFFAOYSA-N

Canonic Smiles

CN(c1ccc(cc1)N)C.Cl

Isomeric Smiles

Nc1ccc(cc1)N(C)C.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.047667995

LogD (pH = 7.4)

1.1568817

Log P

1.2523637

Molar Refractivity

45.187

Polarizability

16.303928

Polar Surface Area

29.26

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

dimethyl-p-phenylenediamine hydrochloride

Synonyms

N,N-DIMETHYL-p-PHENYLENEDIAMINE HYDROCHLORIDE (MONO)N,N-Dimethyl-p-phenylenediamine monohydrochlorideN,N-二甲基对苯二胺单盐酸盐对二甲氨基苯胺单盐酸盐DMPPDA4-(Dimethylamino)aniline monohydrochloride4-Amino-N,N-dimethylaniline monohydrochloride4-氨基-N,N-二甲基苯胺单盐酸盐N,N-Dimethyl-p-phenylenediamine hydrochloride

IUPAC name

1-N,1-N-dimethylbenzene-1,4-diamine hydrochloride

Names and Identifiers

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number