N-Ethyl-N-benzylaniline-3'-sulfonic acid supplier

Name
N-Ethyl-N-benzylaniline-3'-sulfonic acid
EINECS 202-916-8
CAS No. 101-11-1
Density 1.281 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₇NO₃S
Boiling Point
Molecular Weight 291.371
Flash Point
Transport Information
Appearance white powder
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms m-Toluenesulfonicacid, a-(N-ethylanilino)- (7CI,8CI);3-[(Ethylphenylamino)methyl]benzenesulfonic acid;EBASA;N-Ethyl-N-(3-sulfobenzyl)aniline;a-(N-Ethylanilino)-m-toluenesulfonicacid;a-N-Ethylanilinotoluene-3-sulfonicacid;
PSA 65.99000
LogP 4.04060

N-Ethyl-N-benzylaniline-3'-sulfonic acid Specification

The Benzenesulfonic acid,3-[(ethylphenylamino)methyl]-, also known as alphs-N-Ethylanilinotoluene-3-sulphonic acid, is an organic compound with the formula C₁₅H₁₇NO₃S. It belongs to the product category of Intermediates of Dyes and Pigments. Its EINECS registry number is 202-916-8. With the CAS registry number 101-11-1, its IUPAC name is 3-[(N-ethylanilino)methyl]benzenesulfonic acid. What's more, this chemical is a white powder.

Physical properties of Benzenesulfonic acid,3-[(ethylphenylamino)methyl]-: (1)ACD/LogP: 3.00; (2)ACD/LogD (pH 5.5): 0.01; (3)ACD/LogD (pH 7.4): -0.48; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.04; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 79.58 cm³; (13)Molar Volume: 227.4 cm³; (14)Surface Tension: 54.8 dyne/cm; (15)Density: 1.281 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=CC=C2
(2)InChI: InChI=1S/C15H17NO3S/c1-2-16(14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)
(3)InChIKey: BQGRVFPPZJPWPB-UHFFFAOYSA-N

Product Name

N-Ethyl-N-benzylaniline-3'-sulfonic acid

N-Ethyl-N-benzylaniline-3'-sulfonic acid Specification

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