5-Methyl-2-(propan-2-yl)-4-(trimethyl-lambda~5~-azanylidene)cyclohexa-2,5-dien-1-one--hydrogen bromide (1/1)
Basic information
- CAS
66967-78-0- Standard SMILES
Cc1cc(O)c(C(C)C)cc1[N+](C)(C)C.[Br-]- InChIKey
ZFJLFCUEHGRTEJ-UHFFFAOYSA-N- Molecular formula
- C13H22BrNO
- Average molar mass
- 288.22 g/mol
- Monoisotopic mass
- 287.08848
Names & identifiers
- Preferred name
- 5-Methyl-2-(propan-2-yl)-4-(trimethyl-lambda~5~-azanylidene)cyclohexa-2,5-dien-1-one--hydrogen bromide (1/1)
- IUPAC
- (4-hydroxy-2-methyl-5-propan-2-ylphenyl)-trimethylazanium bromide
Names & synonyms
66967-78-0RefChem:1073089DTXSID50985712DTXCID6014129035-Methyl-2-(propan-2-yl)-4-(trimethyl-lambda~5~-azanylidene)cyclohexa-2,5-dien-1-one--hydrogen bromide (1/1)(4-Hydroxy-5-isopropyl-o-tolyl)trimethylammonium bromideRo 2-4173AMMONIUM, (4-HYDROXY-5-ISOPROPYL-o-TOLYL)TRIMETHYL-, BROMIDE
Database identifiers
- CAS
66967-78-0- PubChem CID
- 48650
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
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Compound notes
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