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| Name |
1-(2-Hydroxy-3-sulfopropyl)-pyridinium betane |
EINECS | 223-485-2 |
| CAS No. | 3918-73-8 | Density | 1.30 g/cm3 |
| PSA | 89.69000 | LogP | -0.03900 |
| Solubility | 1280g/L at 23℃ | Melting Point |
N/A |
| Formula | C8H11NO4S | Boiling Point | 111oC |
| Molecular Weight | 217.246 | Flash Point | N/A |
| Transport Information | N/A | Appearance | White powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Pyridinium, 1-(2-hydroxy-3-sulfopropyl)-,hydroxide, inner salt (8CI);Pyridinium-N-(2-hydroxy)propane-3-sulfonic acid;Quats 6.2;Pyridinium hydroxy propyl sulfobetaine;1-(2-Hydroxy-3-sulfopropyl)pyridiniumhydroxide, inner salt (7CI); |
Article Data | 4 |
1-(2-Hydroxy-3-sulfopropyl)-pyridinium betane Synthetic route
| Conditions | Yield |
|---|---|
| With sodium metabisulfite; tetrabutylammomium bromide; sodium sulfite In water at 30 - 50℃; under 18751.9 - 26252.6 Torr; Temperature; Pressure; Large scale; | 99.1% |
- 110-86-1
pyridine
- 107-57-3
3-chloro-2-hydroxypropane-1-sulfonic acid
- 3918-73-8
1-(2-hydroxy-3-sulfo-propyl)-pyridinium betaine
| Conditions | Yield |
|---|---|
| at 100℃; | |
| at 100℃; |
| Conditions | Yield |
|---|---|
| at 150℃; |
1-(2-Hydroxy-3-sulfopropyl)-pyridinium betane Specification
The 1-(2-Hydroxy-3-sulfopropyl)-pyridinium betane is an organic compound with the formula C8H11NO4S. The IUPAC name of this chemical is 2-hydroxy-3-pyridin-1-ium-1-ylpropane-1-sulfonate. With the CAS registry number 3918-73-8, it is also named as Pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt. The other registry number is 68928-53-0. In addition, this chemical is an efficient light additive used in the preparation of electroplating brightener and strong leveling agent of nickel plating.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -6.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.07; (4)ACD/LogD (pH 7.4): -6.07; (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: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 75.86 Å2; (13)Rotatable Bond Count: 3; (14)Exact Mass: 217.040879; (15)MonoIsotopic Mass: 217.040879; (16)Topological Polar Surface Area: 89.7; (17)Heavy Atom Count: 14; (18)Complexity: 240; (19)Undefined Atom StereoCenter Count: 1.
People can use the following data to convert to the molecule structure.
1. SMILES:[O-]S(=O)(=O)CC(O)C[n+]1ccccc1
2. InChI:InChI=1/C8H11NO4S/c10-8(7-14(11,12)13)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
3. InChIKey:RJPRZHQPROLZRW-UHFFFAOYAC
4. Std. InChI:InChI=1S/C8H11NO4S/c10-8(7-14(11,12)13)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
5. Std. InChIKey:RJPRZHQPROLZRW-UHFFFAOYSA-N
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