CAS 62778-12-5|N,N-DIMETHYL-p-PHENYLENEDIAMINE OXALATE|bis(1-N,1-N-dimethylbenzene-1,4-diamine); oxalic acid|bis(dimethyl-p-phenylenediamine); oxalic acid|N,N-Dimethyl-1,4-benzenediamine Ethanedioat...

General Information

Structure

Molecular Formula

C₁₈H₂₆N₄O₄

Molecular Mass

362.42344

Exact Mass

362.19540533

Charge

InChI

InChI=1S/2C8H12N2.C2H2O4/c2*1-10(2)8-5-3-7(9)4-6-8;3-1(4)2(5)6/h2*3-6H,9H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

MNUINXKPLPIOEF-UHFFFAOYSA-N

Canonic Smiles

CN(c1ccc(cc1)N)C.CN(c1ccc(cc1)N)C.OC(=O)C(=O)O

Isomeric Smiles

CN(C)c1ccc(N)cc1.CN(C)c1ccc(N)cc1.OC(=O)C(=O)O

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

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N,N-DIMETHYL-p-PHENYLENEDIAMINE OXALATEN,N-Dimethyl-1,4-benzenediamine Ethanedioate4-氨基-N,N-二甲基苯胺半草酸盐N,N-Dimethyl-p-phenylenediamine hemioxalate salt对二甲氨基苯胺半草酸盐N,N-二甲基对苯二胺半草酸盐DMPPDAN,N-二甲基对苯二胺半草酸盐N,N-二甲基-1,4-苯二胺草酸盐N,N-Dimethyl-p-phenylenediamine hemioxalate saltN,N-Dimethyl-1,4-phenylenediamine oxalate

IUPAC name

bis(1-N,1-N-dimethylbenzene-1,4-diamine); oxalic acid

IUPAC Traditional name

bis(dimethyl-p-phenylenediamine); oxalic acid

Names and Identifiers

Registration numbers

CAS Number

62778-12-5

EC Number

263-723-2

MDL Number

MFCD00036387