CAS 6369-04-6|CAS 53760-27-3|1-N-(4-aminophenyl)benzene-1,4-diamine; sulfuric acid|1-N-(4-aminophenyl)benzene-1,4-diamine; sulfuric acid|4,4'-DIAMINODIPHENYLAMINE SULFATE TECHNICAL GRADE|4,4′-亚胺双...

General Information

Structure

Molecular Formula

C₁₂H₁₅N₃O₄S

Molecular Mass

297.3302

Exact Mass

297.07832698

Charge

InChI

InChI=1S/C12H13N3.H2O4S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-5(2,3)4/h1-8,15H,13-14H2;(H2,1,2,3,4)

InChIKey

OOZQLPDAELLDNY-UHFFFAOYSA-N

Canonic Smiles

OS(=O)(=O)O.Nc1ccc(cc1)Nc1ccc(cc1)N

Isomeric Smiles

OS(=O)(=O)O.Nc1ccc(Nc2ccc(N)cc2)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3083235

LogD (pH = 7.4)

1.7469602

Log P

1.7553197

Molar Refractivity

63.945

Polarizability

23.360455

Polar Surface Area

64.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

1-N-(4-aminophenyl)benzene-1,4-diamine; sulfuric acid

IUPAC Traditional name

1-N-(4-aminophenyl)benzene-1,4-diamine; sulfuric acid

Synonyms

4,4'-DIAMINODIPHENYLAMINE SULFATE TECHNICAL GRADE4,4′-亚胺双苯胺硫酸盐4,4′-Iminodianiline sulfate salt4,4′-二氨基二苯胺硫酸盐4,4′-Diaminodiphenylamine sulfate saltN1-(4-Aminophenyl)-1,4-benzenediamine Sulfate Hydrate4,4'-Diaminodiphenylamine Sulfate Hydratep,p'-Diaminodiphenylamine Sulfate HydrateN-(4-Aminophenyl)-1,4-benzenediamine Sulfate Hydrate

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem SID

PubChem CID

Beilstein Number