Basic information
- CAS
66902-74-7- Standard SMILES
CN(C)C(=O)Oc1ccc(C(C)(C)C)cc1C[N+](C)(C)C.[Br-]- InChIKey
AQAYVHOFACTEQW-UHFFFAOYSA-M- Molecular formula
- C17H29BrN2O2
- Average molar mass
- 373.3 g/mol
- Monoisotopic mass
- 372.14124
Names & identifiers
- Preferred name
- Ammonium, (5-tert-butyl-2-hydroxybenzyl)trimethyl-, bromide, dimethylcarbamate (ester)
- IUPAC
- [5-tert-butyl-2-(dimethylcarbamoyloxy)phenyl]methyl-trimethylazanium bromide
Names & synonyms
Ro 2-093666902-74-7(5-tert-Butyl-2-hydroxybenzyl)trimethylammonium bromide dimethylcarbamate (ester)Ammonium, (5-tert-butyl-2-hydroxybenzyl)trimethyl-, bromide, dimethylcarbamate (ester)RefChem:318957DTXSID40985549{5-tert-Butyl-2-[(dimethylcarbamoyl)oxy]phenyl}-N,N,N-trimethylmethanaminium bromide
Database identifiers
- CAS
66902-74-7- PubChem CID
- 48299
- DTXSID
DTXSID40985549
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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