CAS No.107294-90-6,4-AMINO-N-[2-[(2-SULFOXY)ETHYL]-SULFONYL]ETHYL BENZAMIDE,SODIUM Suppliers

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Basic Information

Molecular Structure:
CAS No.:	107294-90-6
Name:	4-AMINO-N-[2-[(2-SULFOXY)ETHYL]-SULFONYL]ETHYL BENZAMIDE,SODIUM

Formula:	C₁₁H₁₆N₂O₇S₂
Molecular Weight:	352.389
Synonyms:	4-Amino-N-[2-[(2-sulfooxy)ethyl]sulfonyl]ethyl]benzamide;
Density:	1.548 g/cm³
PSA:	172.45000
LogP:	2.02390

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Specification

The cas register number of 4-Amino-N-[2-[(2-sulfooxy)ethyl]sulfonyl]ethyl]benzamide is 107294-90-6. It also can be called as Benzamide,4-amino-N-[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]- and the Systematic name about this chemical is 2-({2-[(3-aminobenzoyl)amino]ethyl}sulfonyl)ethyl hydrogen sulfate.

Physical properties about 4-Amino-N-[2-[(2-sulfooxy)ethyl]sulfonyl]ethyl]benzamide are: (1)ACD/LogP: -1.11; (2)ACD/LogD (pH 5.5): -4.58; (3)ACD/LogD (pH 7.4): -4.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 9; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 127.05Å²; (12)Index of Refraction: 1.603; (13)Molar Refractivity: 78.2 cm³; (14)Molar Volume: 227.5 cm³; (15)Polarizability: 31x10^-24cm³; (16)Surface Tension: 74.4 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(N)ccc1)NCCS(=O)(=O)CCOS(=O)(=O)O
(2)InChI: InChI=1/C11H16N2O7S2/c12-10-3-1-2-9(8-10)11(14)13-4-6-21(15,16)7-5-20-22(17,18)19/h1-3,8H,4-7,12H2,(H,13,14)(H,17,18,19)
(3)InChIKey: VDSCZRDDLKLPIT-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H16N2O7S2/c12-10-3-1-2-9(8-10)11(14)13-4-6-21(15,16)7-5-20-22(17,18)19/h1-3,8H,4-7,12H2,(H,13,14)(H,17,18,19)
(5)Std. InChIKey: VDSCZRDDLKLPIT-UHFFFAOYSA-N