Basic information
- CAS
926905-78-4- Standard SMILES
C[NH+]1C=CN(CCCS(=O)(=O)O)C1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
KPJCNLGGJOQSOX-UHFFFAOYSA-N- Molecular formula
- C14H22N2O6S2
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.09192877
Names & identifiers
- Preferred name
- 1H-Imidazolium, 1-methyl-3-(3-sulfopropyl)-, 4-methylbenzenesulfonate(1:1)
- IUPAC
- 4-methylbenzenesulfonate;3-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)propane-1-sulfonic acid
- English name
- 1H-Imidazolium, 1-methyl-3-(3-sulfopropyl)-, 4-methylbenzenesulfonate(1:1)
- Molecular formula
- C14H20N2O6S2
- Molecular weight
- 376.44
Names & synonyms
926905-78-41H-Imidazolium, 1-methyl-3-(3-sulfopropyl)-, 4-methylbenzenesulfonate(1:1)1-Methyl-3-(3-sulfopropyl)-2,3-dihydro-1H-imidazol-1-ium 4-methylbenzene-1-sulfonate4-methylbenzenesulfonate;3-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)propane-1-sulfonic acidDTXSID80853874AKOS028108370D97182
Database identifiers
- CAS
926905-78-4- PubChem CID
- 71445321
- DTXSID
DTXSID80853874
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
安阳鸿蒙新材料有限公司19588588067 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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