Basic information
- CAS
4329-91-3- Standard SMILES
CC[n+]1c(S(=O)(=O)[O-])ccc2ccccc21- InChIKey
VDLUATXFGISGEH-UHFFFAOYSA-N- Molecular formula
- C11H11NO3S
- Average molar mass
- 237.28 g/mol
- Monoisotopic mass
- 237.04596439
Names & identifiers
- Preferred name
- 1-Ethyl-2-sulphonatoquinolinium
- IUPAC
- 1-ethylquinolin-1-ium-2-sulfonate
- English name
- 1-ethyl-2-sulphonatoquinolinium
- Molecular formula
- C11H11NO3S
- Molecular weight
- 237.27494
Names & synonyms
1-Ethyl-2-sulphonatoquinolinium1-ethylquinolin-1-ium-2-sulfonateMJ5J37YAW7Quinolinium, 1-ethyl-2-sulfo-, inner saltDTXSID8063416RefChem:197037DTXCID50402554329-91-31-Ethyl-2-sulfoquinolinium hydroxide, inner saltEINECS 224-365-2UNII-MJ5J37YAW7Quinolinium, 1-ethyl-2-sulfo-, hydroxide, inner salt
Show more names
1-Ethyl-2-sulfonatoquinolinium1-ETHYL-2-QUINOLINIUMSULFONATE
SCHEMBL4625836VDLUATXFGISGEH-UHFFFAOYSA-NAKOS024330737NS00046391
Database identifiers
- CAS
4329-91-3- PubChem CID
- 78028
- DTXSID
DTXSID8063416- UNII
- MJ5J37YAW7
- EC Number
- 224-365-2
- Nikkaji
- J205.710G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- FDA UNII
- 5 J37YAW7 · MJ5J37YAW7
- EPA Substance Registry System
- 1 · 1-Ethyl-2-sulfoquinolinium hydroxide, inner salt (4329-91-3)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinolinium, 1-ethyl-2-sulfo-, inner salt: ACTIVE
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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