1-(Azepan-1-ium-1-yl)ethanone;methyl sulfate
Basic information
- CAS
85851-62-3- Standard SMILES
CC(=O)[NH+]1CCCCCC1.COS(=O)(=O)[O-]- InChIKey
JLKCDRWIHBETHZ-UHFFFAOYSA-N- Molecular formula
- C9H19NO5S
- Average molar mass
- 253.32 g/mol
- Monoisotopic mass
- 253.09839388
Names & identifiers
- Preferred name
- 1-(Azepan-1-ium-1-yl)ethanone;methyl sulfate
- IUPAC
- 1-(azepan-1-ium-1-yl)ethanone;methyl sulfate
Names & synonyms
NS00065182
Database identifiers
- CAS
85851-62-3- PubChem CID
- 16205643
Properties
Computed structural properties
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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