CAS No.53760-27-3,N-(4-Aminophenyl)-1,4-benzenediamine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	53760-27-3
Name:	N-(4-Aminophenyl)-1,4-benzenediamine
Article Data:	2

Formula:	C₁₂H₁₅N₃O₄S
Molecular Weight:	297.335
Synonyms:	N-(4-Aminophenyl)benzene-1,4-diamine sulphate (1:1);N-(4-aminophenyl)benzene-1,4-diamine; sulfuric acid;4,4'-Diaminodiphenylamine sulphate;4-4' IMINODIANILINE;
EINECS:	228-864-6
Melting Point:	300 °C
Boiling Point:	599.7 °C at 760 mmHg
Flash Point:	316.5 °C
Appearance:	dark blue very fine crystalline powder
PSA:	147.05000
LogP:	4.25800

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Specification

The N-(4-Aminophenyl)benzene-1,4-diamine sulphate (1:1), with the CAS registry number 53760-27-3, is also known as Bis(4-aminophenyl)amine sulfate. It belongs to the product categories of Intermediates of Dyes and Pigments; Diphenylamines (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research. Its EINECS registry number is 228-864-6. This chemical's molecular formula is C₁₂H₁₅N₃O₄S and molecular weight is 297.078327. Its IUPAC name is called 4-N-(4-aminophenyl)benzene-1,4-diamine; sulfuric acid. This chemical is dark blue very fine crystalline powder.

Physical properties of N-(4-Aminophenyl)benzene-1,4-diamine sulphate (1:1): (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): -0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.89; (8)ACD/KOC (pH 7.4): 14.2; (9)#H bond acceptors: 3; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Flash Point: 239.2 °C; (13)Enthalpy of Vaporization: 66.31 kJ/mol; (14)Boiling Point: 410.7 °C at 760 mmHg; (15)Vapour Pressure: 5.89E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1N)NC2=CC=C(C=C2)N.OS(=O)(=O)O
(2)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)
(3)InChIKey: OOZQLPDAELLDNY-UHFFFAOYSA-N