Basic information
- CAS
14933-13-2- Standard SMILES
Cc1ccc[n+](CCCS(=O)(=O)[O-])c1- InChIKey
KQYJTLHBMMEKIY-UHFFFAOYSA-N- Molecular formula
- C9H13NO3S
- Average molar mass
- 215.27 g/mol
- Monoisotopic mass
- 215.06161445
Names & identifiers
- Preferred name
- 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt
- IUPAC
- 3-(3-methylpyridin-1-ium-1-yl)propane-1-sulfonate
- English name
- 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt
- Molecular formula
- C9H13NO3S
- Molecular weight
- 215.26942
Names & synonyms
14933-13-23-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt3-(3-methylpyridin-1-ium-1-yl)propane-1-sulfonateEINECS 239-004-4SCHEMBL21523393DTXSID30164220KQYJTLHBMMEKIY-UHFFFAOYSA-NNS001229483-Methyl-PPS3-Methyl-1-(3-sulfonatopropyl)pyridinium3-Methyl-(3-sulfopropyl)-pyridinium betaine
Database identifiers
- CAS
14933-13-2- PubChem CID
- 84707
- DTXSID
DTXSID30164220- EC Number
- 239-004-4
- Nikkaji
- J241.349C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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