Pyridinium, 3-methyl-1-(3-sulfopropyl)-, inner salt supplier

Name
3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt
EINECS 239-004-4
CAS No. 14933-13-2
Density
Solubility
Melting Point
Formula C₉H₁₃NO₃S
Boiling Point
Molecular Weight 215.27
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Picolinium,1-(3-sulfopropyl)-, hydroxide, inner salt (8CI);Pyridinium,3-methyl-1-(3-sulfopropyl)-, hydroxide, inner salt;3-(3-Methylpyridinium-1-yl)propane-1-sulfonate;3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt;
PSA 69.46000
LogP 1.29860

Pyridinium, 3-methyl-1-(3-sulfopropyl)-, inner salt Specification

The Pyridinium, 3-methyl-1-(3-sulfopropyl)-, inner salt, with the CAS registry number 14933-13-2, is also known as 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt. Its EINECS number is 239-004-4. This chemical's molecular formula is C₉H₁₃NO₃S and molecular weight is 215.27. What's more, its systematic name is 3-(3-methylpyridinium-1-yl)propane-1-sulfonate.

Physical properties of Pyridinium, 3-methyl-1-(3-sulfopropyl)-, inner salt are: (1)ACD/LogP: -5.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.11; (4)ACD/LogD (pH 7.4): -5.11; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.63 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)CCC[n+]1cccc(c1)C
(2)InChI: InChI=1S/C9H13NO3S/c1-9-4-2-5-10(8-9)6-3-7-14(11,12)13/h2,4-5,8H,3,6-7H2,1H3
(3)InChIKey: KQYJTLHBMMEKIY-UHFFFAOYSA-N

Product Name

3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt

Pyridinium, 3-methyl-1-(3-sulfopropyl)-, inner salt Specification

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