4-Bromo-N,N,N-triethyl-I(2)-oxobenzeneethanaminium
Basic information
- CAS
785725-69-1- Standard SMILES
CC[N+](CC)(CC)CC(=O)c1ccc(Br)cc1- InChIKey
AKOKUFCEWMTCET-UHFFFAOYSA-N- Molecular formula
- C14H21BrNO+
- Average molar mass
- 299.23 g/mol
- Monoisotopic mass
- 298.08065
Names & identifiers
- Preferred name
- 4-Bromo-N,N,N-triethyl-I(2)-oxobenzeneethanaminium
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl]-triethylazanium
Names & synonyms
CBDivE_013179DTXSID501245309785725-69-14-Bromo-N,N,N-triethyl-I(2)-oxobenzeneethanaminium2-(4-Bromophenyl)-N,N,N-triethyl-2-oxoethan-1-aminium
Database identifiers
- CAS
785725-69-1- PubChem CID
- 426795
- DTXSID
DTXSID501245309
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 1
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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