Ammonium, (3-hydroxy-5-methoxyphenyl)trimethyl-, bromide
Basic information
- CAS
66967-80-4- Standard SMILES
COc1cc(O)cc([N+](C)(C)C)c1.[Br-]- InChIKey
CSMPGZAJSZYEQL-UHFFFAOYSA-N- Molecular formula
- C10H16BrNO2
- Average molar mass
- 262.14 g/mol
- Monoisotopic mass
- 261.03644
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxy-5-methoxyphenyl)trimethyl-, bromide
- IUPAC
- (3-hydroxy-5-methoxyphenyl)-trimethylazanium bromide
Names & synonyms
66967-80-4AMMONIUM, (3-HYDROXY-5-METHOXYPHENYL)TRIMETHYL-, BROMIDERefChem:1076769(3-Hydroxy-5-methoxyphenyl)trimethylammonium bromideRo 2-4318
Database identifiers
- CAS
66967-80-4- PubChem CID
- 48654
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
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Compound notes
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