Basic information
- CAS
23771-16-6- Standard SMILES
COc1cc(C(=O)C[NH2+]C2CCCCC2)cc(OC)c1OC.[Br-]- InChIKey
UNYRDDPUXLPSCB-UHFFFAOYSA-N- Molecular formula
- C17H26BrNO4
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 387.10452
Names & identifiers
- Preferred name
- 2-(Cyclohexylamino)-1-(3,4,5-trimethoxyphenyl)ethan-1-one--hydrogen bromide (1/1)
- IUPAC
- cyclohexyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]azanium bromide
Names & synonyms
23771-16-6DTXSID809465582-(Cyclohexylamino)-1-(3,4,5-trimethoxyphenyl)ethan-1-one--hydrogen bromide (1/1)RefChem:1061529DTXCID5013748412-(Cyclohexylamino)-3',4',5'-trimethoxy-acetophenone hydrobromideACETOPHENONE, 2-(CYCLOHEXYLAMINO)-3',4',5'-TRIMETHOXY-, HYDROBROMIDE
Database identifiers
- CAS
23771-16-6- PubChem CID
- 32079
Properties
Computed structural properties
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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