CAS No.10079-20-6,2-Anisidine-4-?-hydroxyethylsulfonesulfateester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10079-20-6
Name:	2-Anisidine-4-?-hydroxyethylsulfonesulfateester

Formula:	C₉H₁₃NO₇S₂
Molecular Weight:	311.337
Synonyms:	Ethanol,2-(4-methoxymetanilyl)-, hydrogen sulfate (7CI);Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-,hydrogen sulfate (ester) (8CI,9CI);2-(3-Amino-4-methoxyphenylsulfonyl)ethylhydrogen sulfate;2-Amino-1-methoxy-4-(2-sulfatoethylsulfonyl)benzene;2-Amino-4-[(2-sulfooxyethyl)sulfonyl]anisole;2-Amino-4-[(b-sulfooxyethyl)sulfonyl]anisole;3-Amino-4-methoxyphenyl 2-sulfatoethyl sulfone;3-Amino-4-methoxyphenyl b-hydroxyethyl sulfone sulfuricacid ester;4-(b-Hydroxyethylsulfonyl)-2-aminoanisolesulfate;b-[(3-Amino-4-methoxyphenyl)sulfonyl]ethylsulfate;
EINECS:	233-213-4
Density:	1.565 g/cm³
Appearance:	offwhite powder
PSA:	149.75000
LogP:	2.61330

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Specification

The Ethanol,2-[(3-amino-4-methoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate), with the CAS registry number 10079-20-6 and EINECS registry number 233-213-4, has the systematic name of 2-[(3-amino-4-methoxyphenyl)sulfonyl]ethyl hydrogen sulfate. And the molecular formula of the chemical is C₉H₁₃NO₇S₂.

The characteristics of Ethanol,2-[(3-amino-4-methoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate) are as followings: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.15; (4)ACD/LogD (pH 7.4): -4.16; (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: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 115.97 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 66.9 cm³; (15)Molar Volume: 198.9 cm³; (16)Polarizability: 26.52×10^-24cm³; (17)Surface Tension: 66 dyne/cm; (18)Density: 1.565 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)OCCS(=O)(=O)c1ccc(OC)c(N)c1
(2)InChI: InChI=1/C9H13NO7S2/c1-16-9-3-2-7(6-8(9)10)18(11,12)5-4-17-19(13,14)15/h2-3,6H,4-5,10H2,1H3,(H,13,14,15)
(3)InChIKey: WODJSCQBFSWEPY-UHFFFAOYAW