CAS No.40947-69-1,4-[(4-Amino-5-methoxy-2-methylphenyl)azo]benzenesulfonic acid Suppliers

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Molecular Structure:
CAS No.:	40947-69-1
Name:	4-[(4-Amino-5-methoxy-2-methylphenyl)azo]benzenesulfonic acid
Article Data:	4

Formula:	C₁₄H₁₅N₃O₄S
Molecular Weight:	321.357
Synonyms:	Benzenesulfonicacid, 4-[(4-amino-5-methoxy-2-methylphenyl)azo]- (9CI);Benzenesulfonic acid,p-(4-amino-5-methoxy-o-tolylazo)- (6CI);2-Methoxy-5-methyl-4-(4-sulfophenylazo)aniline;2-Methoxy-5-methyl-4-[(4-sulfophenyl)azo]benzenamine;p-(4-Amino-5-methoxy-o-tolylazo)benzenesulfonic acid;
EINECS:	255-151-7
Density:	1.40 g/cm³
PSA:	122.72000
LogP:	4.90990

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Specification

The 4-[(4-Amino-5-methoxy-2-methylphenyl)azo]benzenesulfonic acid, with the cas registry number 40947-69-1 and EINECS registry number 255-151-7, has the systematic name of 4-[(E)-(4-amino-5-methoxy-2-methylphenyl)diazenyl]benzenesulfonic acid. And the molecular formula of the chemical is C₁₄H₁₅N₃O₄S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 88.94 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 81.61 cm³; (15)Molar Volume: 229.5 cm³; (16)Polarizability: 32.35×10^-24cm³; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.4 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)c2ccc(/N=N/c1cc(OC)c(N)cc1C)cc2
(2)InChI: InChI=1/C14H15N3O4S/c1-9-7-12(15)14(21-2)8-13(9)17-16-10-3-5-11(6-4-10)22(18,19)20/h3-8H,15H2,1-2H3,(H,18,19,20)/b17-16+
(3)InChIKey: RFHAPRIQUZZKDJ-WUKNDPDIBX