Home >> Chemicals Listing >> hot product list by E  

Ethanol,2-[[3-(ethylamino)phenyl]sulfonyl]-, 1-(hydrogen sulfate) (83574-63-4)

Identification
Name:Ethanol,2-[[3-(ethylamino)phenyl]sulfonyl]-, 1-(hydrogen sulfate)
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;
CAS:83574-63-4
Molecular Formula: C10H15NO6S2
Molecular Weight: 309.3592
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
Molecular Structure: (C10H15NO6S2) Ethanol,2-[[3-(ethylamino)phenyl]sulfonyl]-, hydrogen sulfate (ester) (9CI);3-(Ethylamino)phenyl 2-s...
Properties
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

Safety Data
 

Other Product