Basic information
- CAS
13171-36-3- Standard SMILES
CC(=O)C[N+](C)(C)Cc1ccccc1.[Cl-]- InChIKey
OEEYPWMITPUJSX-UHFFFAOYSA-M- Molecular formula
- C12H18ClNO
- Average molar mass
- 227.73 g/mol
- Monoisotopic mass
- 227.1076919
Names & identifiers
- Preferred name
- Benzyl-dimethyl-(2-oxopropyl)azanium chloride
- IUPAC
- benzyl-dimethyl-(2-oxopropyl)azanium chloride
Names & synonyms
13171-36-3benzyl-dimethyl-(2-oxopropyl)azanium chlorideDTXSID70274796N-benzyl-N,N-dimethyl-2-oxopropan-1-aminium chloride
Database identifiers
- CAS
13171-36-3- PubChem CID
- 25751
- DTXSID
DTXSID70274796
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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