Basic information
- CAS
64048-42-6- Standard SMILES
C[N+](C)(Cc1ccccc1)c1cccc(O)c1.[Br-]- InChIKey
MWUIVEJFGUFRKG-UHFFFAOYSA-N- Molecular formula
- C15H18BrNO
- Average molar mass
- 308.21 g/mol
- Monoisotopic mass
- 307.05718
Names & identifiers
- Preferred name
- Ammonium, benzyldimethyl(3-hydroxyphenyl)-, bromide
- IUPAC
- benzyl-(3-hydroxyphenyl)-dimethylazanium bromide
Names & synonyms
(3-Hydroxyphenyl)benzyldimethylammonium bromide64048-42-6Ro 2-3199AMMONIUM, BENZYLDIMETHYL(3-HYDROXYPHENYL)-, BROMIDERefChem:319170CHEMBL60874
Database identifiers
- CAS
64048-42-6- PubChem CID
- 46780
- ChEMBL
CHEMBL60874
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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