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Ethanol,2-[(6-amino-2-naphthalenyl)sulfonyl]-, 1-(hydrogensulfate)

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Name

Ethanol,2-[(6-amino-2-naphthalenyl)sulfonyl]-, 1-(hydrogensulfate)

EINECS N/A
CAS No. 62158-71-8 Density 1.585 g/cm3
PSA 140.52000 LogP 3.75790
Solubility N/A Melting Point N/A
Formula C12H13NO6S2 Boiling Point N/A
Molecular Weight 331.36 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 62158-71-8 (ETHANOL-2-[(6-AMINO-2-NAPTHALENYL)-SULFONYL]-HYDROGEN SULFATE) Hazard Symbols N/A
Synonyms

Ethanol,2-[(6-amino-2-naphthalenyl)sulfonyl]-, hydrogensulfate (ester) (9CI);2-Amino-6-(β-sulfatoethylsulfonyl)naphthalene;6-(β-Sulfatoethylsulfonyl)-2-naphthylamine;

 

Ethanol,2-[(6-amino-2-naphthalenyl)sulfonyl]-, 1-(hydrogensulfate) Specification

The Ethanol, 2-[(6-amino-2-naphthalenyl)sulfonyl]-, 1-(hydrogensulfate), with the CAS registry number of 62158-71-8, is also known as 2-[(6-Amino-2-naphthyl) sulfonyl] sulfate ethyl ester and Ethanol amino napthalenyl sulfonyl hydrogen sulfate. This chemical's molecular formula is C12H13NO6S2 and molecular weight is 331.36. What's more, its systematic name is called 2-[(6-Amino-2-naphthyl)sulfonyl]ethyl hydrogen sulfate.

Physical properties about Ethanol, 2-[(6-amino-2-naphthalenyl)sulfonyl]-, 1-(hydrogensulfate) are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 140.52 Å2; (7)Index of Refraction: 1.67; (8)Molar Refractivity: 78.1 cm3; (9)Molar Volume: 209 cm3; (10)Polarizability: 30.96×10-24 cm3; (11)Surface Tension: 74.1 dyne/cm; (12)Density: 1.585 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: OS(=O)(=O)OCCS(=O)(=O)c1ccc2cc(N)ccc2c1
(2) InChI: InChI=1/C12H13NO6S2/c13-11-3-1-10-8-12(4-2-9(10)7-11)20(14,15)6-5-19-21(16,17)18/h1-4,7-8H,5-6,13H2,(H,16,17,18)
(3) InChIKey: BNYUZNPPOBEWGT-UHFFFAOYAX

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