CAS 536-47-0|CAS 6219-73-4|4-Amino-N,N-dimethylaniline sulphate|dimethyl-p-phenylenediamine; sulfuric acid|1-N,1-N-dimethylbenzene-1,4-diamine; sulfuric acid|N.N-Dimethylbenzene-1,4-diamine sulphate|...

General Information

Structure

Molecular Formula

C₈H₁₄N₂O₄S

Molecular Mass

234.27276

Exact Mass

234.06742794

Charge

InChI

InChI=1S/C8H12N2.H2O4S/c1-10(2)8-5-3-7(9)4-6-8;1-5(2,3)4/h3-6H,9H2,1-2H3;(H2,1,2,3,4)

InChIKey

GLUKPDKNLKRLHX-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

S(=O)(=O)(O)O.N(c1ccc(cc1)N)(C)C

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

Synonyms

4-Amino-N,N-dimethylaniline sulphateN.N-Dimethylbenzene-1,4-diamine sulphate对二甲氨基苯胺硫酸盐DMPPDAN,N-二甲基对苯二胺硫酸盐4-Amino-N,N-dimethylaniline sulfate salt4-氨基-N,N-二甲基苯胺硫酸盐4-(Dimethylamino)aniline sulfate saltN,N-Dimethyl-p-phenylenediamine sulfate salt4-Amino-N,N-dimethylaniline sulfateN,N-Dimethyl-p-phenylenediamine sulfateN1,N1-Dimethylbenzene-1,4-diamine sulfateN,N-二甲基对苯二胺硫酸盐4-Dimethylaminoaniline sulfate

IUPAC name

1-N,1-N-dimethylbenzene-1,4-diamine; sulfuric acid

IUPAC Traditional name

dimethyl-p-phenylenediamine; sulfuric acid

Names and Identifiers

Registration numbers

PubChem SID

162074393248512172489389924846116

PubChem CID

80351

CAS Number

536-47-06219-73-4