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| Name |
Pyridinium,1-[2-(sulfooxy)ethyl]-, inner salt |
EINECS | 228-136-8 |
| CAS No. | 6142-30-9 | Density | N/A |
| PSA | 78.69000 | LogP | 0.53170 |
| Solubility | N/A | Melting Point |
203 °C |
| Formula | C7H9NO4S | Boiling Point | N/A |
| Molecular Weight | 203.219 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-(2-Hydroxyethyl)pyridiniumhydroxide, hydrogen sulfate, inner salt (7CI);Pyridinium, 1-(2-hydroxyethyl)-,hydroxide, hydrogen sulfate, inner salt (8CI);Pyridinium,1-[2-(sulfooxy)ethyl]-, hydroxide, inner salt;Pyridiniumbetaine B; |
Pyridinium,1-[2-(sulfooxy)ethyl]-, inner salt Specification
The Pyridinium,1-[2-(sulfooxy)ethyl]-, inner salt, with CAS registry number 6142-30-9, has the systematic name of 2-(pyridinium-1-yl)ethyl sulfate. Besides this, it is also called 1-(2-Hydroxyethyl)pyridiniumhydroxide, hydrogen sulfate, inner salt (7CI). And the chemical formula of this chemical is C7H9NO4S.
Physical properties of Pyridinium,1-[2-(sulfooxy)ethyl]-, inner salt: (1)ACD/LogP: -4.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.55; (4)ACD/LogD (pH 7.4): -4.55; (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: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.86 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)OCC[n+]1ccccc1
(2)InChI: InChI=1/C7H9NO4S/c9-13(10,11)12-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
(3)InChIKey: VUOQDVJCGIRTJN-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H9NO4S/c9-13(10,11)12-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
(5)Std. InChIKey: VUOQDVJCGIRTJN-UHFFFAOYSA-N
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