Basic information
- CAS
68299-25-2- Standard SMILES
CCC[n+]1ccccc1.CCOS(=O)(=O)[O-]- InChIKey
XQXVYZBUCWELOV-UHFFFAOYSA-M- Molecular formula
- C10H17NO4S
- Average molar mass
- 247.31 g/mol
- Monoisotopic mass
- 247.0878292
Names & identifiers
- Preferred name
- Pyridinium, 1-ethylmethyl-, ethyl sulfate (1:1)
- IUPAC
- ethyl sulfate;1-propylpyridin-1-ium
- English name
- 1-ethylmethylpyridinium ethyl sulphate
- Molecular formula
- C10H17NO4S
- Molecular weight
- 247.31128
Names & synonyms
N-Ethylpicolinonium ethyl sulfateN-Ethylpicolinium ethosulfatePyridinium, 1-ethylmethyl-, ethyl sulfateEINECS 269-606-268299-25-2Pyridinium, 1-ethylmethyl-, ethyl sulfate (1:1)DTXSID10887324RefChem:177652DTXCID8010266251-Ethylmethylpyridinium ethyl sulphateXQXVYZBUCWELOV-UHFFFAOYSA-M1-PROPYLPYRIDIN-1-IUM ETHYL SULFATE
Show more names
NS00060299
Database identifiers
- CAS
68299-25-2- PubChem CID
- 176397
- DTXSID
DTXSID10887324- EC Number
- 269-606-2
Properties
Computed structural properties
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- EPA Substance Registry System
- 1 · Pyridinium, 1-ethylmethyl-, ethyl sulfate (68299-25-2)
- 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 InformationPyridinium, 1-ethylmethyl-, ethyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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