Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-N-Ethylaminophenyl(beta-sulphatoethyl)sulphone |
EINECS | N/A |
CAS No. | 83574-63-4 | Density | 1.483±0.06 g/cm3(Predicted) |
PSA | 126.53000 | LogP | 2.94610 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H15NO6S2 | Boiling Point | N/A |
Molecular Weight | 309.364 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
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; |
Article Data | 3 |
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