3-N-Ethylaminophenyl(beta-sulphatoethyl)sulphone supplier

Name
3-N-ETHYL-AMINOPHENYL(BETA-SULFATOETHYL)SULFONE,
EINECS
CAS No. 83574-63-4
Article Data3
CAS DataBase
Density 1.483±0.06 g/cm3(Predicted)
Solubility
Melting Point
Formula C₁₀H₁₅NO₆S₂
Boiling Point
Molecular Weight 309.364
Flash Point
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols R34:Causes burns.;
Synonyms Ethanol,2-[[3-(ethylamino)phenyl]sulfonyl]-, hydrogen sulfate (ester) (9CI);3-(Ethylamino)phenyl 2-sulfatoethyl sulfone;N-Ethyl-3-(2-sulfatoethylsulfonyl)aniline;m-(2-Hydroxyethylsulfonylsulfato)-N-ethylaniline;
PSA 126.53000
LogP 2.94610

3-N-Ethylaminophenyl(beta-sulphatoethyl)sulphone Specification

The 3-N-Ethylaminophenyl(beta-sulphatoethyl)sulphone, with the CAS registry number 83574-63-4, is also known as 2-(3-(Ethylamino)phenylsulfonyl)ethyl hydrogen sulfate. It belongs to the product category of Intermediates of Dyes and Pigments. This chemical's molecular formula is C₁₀H₁₅NO₆S₂ and formula weight is 309.36. What's more, its systematic name is called 2-{[3-(Ethylamino)phenyl]sulfonyl}ethyl sulfate.

Physical properties about this chemical are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (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: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 129.36 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(NCC)c1
(2)InChI: InChI=1/C10H15NO6S2/c1-2-11-9-4-3-5-10(8-9)18(12,13)7-6-17-19(14,15)16/h3-5,8,11H,2,6-7H2,1H3,(H,14,15,16)/p-1
(3)InChIKey: BMCYONWPAXGKRH-REWHXWOFAL

Product Name

3-N-ETHYL-AMINOPHENYL(BETA-SULFATOETHYL)SULFONE,

3-N-Ethylaminophenyl(beta-sulphatoethyl)sulphone Specification

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