1-(2-Hydroxy-3-sulfopropyl)pyridinium betaine

C₈H₁₁NO₄SCAS 3918-73-8217.24 g/mol

Open in Covalent MOL file

Alcohol Sulfone

Properties

Molecular formula: C₈H₁₁NO₄S
Molar mass: 217.24 g/mol
Exact mass: 217.0409 Da
logP: -1.12Crippen estimate
Polar surface area: 81.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Identifiers

CAS number

3918-73-8

SMILES

O=S(=O)([O-])CC(O)C[n+]1ccccc1

InChIKey

RJPRZHQPROLZRW-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, inner salt
Pyridinium, 1-(2-hydroxy-3-sulfopropyl)-, hydroxide, inner salt
1-(2-Hydroxy-3-sulfopropyl)pyridinium hydroxide, inner salt
Quats 6.2
Pyridinium-N-(2-hydroxy)propane-3-sulfonic acid
1-(2-Hydroxy-3-sulfonatopropyl)pyridin-1-ium
2-Hydroxy-3-pyridin-1-ium-1-ylpropane-1-sulfonate
2-Hydroxy-3-(pyridin-1-ium-1-yl)propane-1-sulfonate

Work with 1-(2-Hydroxy-3-sulfopropyl)pyridinium betaine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

2,5-Dimethoxybenzenesulfonamide19116-90-6 Cresidinesulfonic acid6471-78-9

Elsewhere

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