Basic information
- CAS
54399-07-4- Standard SMILES
CN(C)CCOC(=O)c1ccc(CBr)cc1- InChIKey
GKXGZAJDIADETN-UHFFFAOYSA-N- Molecular formula
- C12H16BrNO2
- Average molar mass
- 286.16 g/mol
- Monoisotopic mass
- 285.03644
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl 4-(bromomethyl)benzoate
- IUPAC
- 2-(dimethylamino)ethyl 4-(bromomethyl)benzoate
Names & synonyms
2-(Dimethylamino)ethyl 4-(bromomethyl)benzoate54399-07-4Benzoic acid, 4-(bromomethyl)-, 2-(dimethylamino)ethyl esterSCHEMBL11767896DTXSID40202783
Database identifiers
- CAS
54399-07-4- PubChem CID
- 148682
- DTXSID
DTXSID40202783- Nikkaji
- J87.175C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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