Benzenesulfonic acid,4-[[bis[4-(dimethylamino)phenyl]methyl]amino]- supplier

Name
p-[[bis[4-(dimethylamino)phenyl]methyl]amino]benzenesulphonic acid
EINECS 256-326-0
CAS No. 47654-02-4
Density 1.281 g/cm3
Solubility
Melting Point
Formula C₂₃H₂₇N₃O₃S
Boiling Point
Molecular Weight 425.552
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-((Bis(4-(dimethylamino)phenyl)methyl)amino)benzenesulphonic acid;
PSA 81.26000
LogP 5.42060

Benzenesulfonic acid,4-[[bis[4-(dimethylamino)phenyl]methyl]amino]- Specification

The Benzenesulfonic acid,4-[[bis[4-(dimethylamino)phenyl]methyl]amino]-, with the CAS registry number 47654-02-4, is also known as p-((Bis(4-(dimethylamino)phenyl)methyl)amino)benzenesulphonic acid. Its EINECS registry number is 256-326-0. This chemical's molecular formula is C₂₃H₂₇N₃O₃S and molecular weight is 425.5438. What's more, both its IUPAC name and systematic name are the same which is called 4-({Bis[4-(dimethylamino)phenyl]methyl}amino)benzenesulfonic acid.

Physical properties about Benzenesulfonic acid,4-[[bis[4-(dimethylamino)phenyl]methyl]amino]- are: (1)ACD/LogP: 3.79; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.37; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 61.47 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 121.05 cm³; (15)Molar Volume: 332.1 cm³; (16)Polarizability: 47.98×10^-24cm³; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.281 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c1ccc(cc1)NC(c2ccc(N(C)C)cc2)c3ccc(N(C)C)cc3
(2) InChI: InChI=1/C23H27N3O3S/c1-25(2)20-11-5-17(6-12-20)23(18-7-13-21(14-8-18)26(3)4)24-19-9-15-22(16-10-19)30(27,28)29/h5-16,23-24H,1-4H3,(H,27,28,29)
(3) InChIKey: GWNOPYKHUMPPBG-UHFFFAOYAB

Product Name

p-[[bis[4-(dimethylamino)phenyl]methyl]amino]benzenesulphonic acid

Benzenesulfonic acid,4-[[bis[4-(dimethylamino)phenyl]methyl]amino]- Specification

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