Basic information
- CAS
23771-14-4- Standard SMILES
COc1cc(C(=O)C[NH2+]C(C)Cc2ccccc2)cc(OC)c1OC.[Br-]- InChIKey
SHCIZOHWCGLFHY-UHFFFAOYSA-N- Molecular formula
- C20H26BrNO4
- Average molar mass
- 424.3 g/mol
- Monoisotopic mass
- 423.10452
Names & identifiers
- Preferred name
- Acetophenone, 3',4',5'-trimethoxy-2-((alpha-methylphenethyl)amino)-, hydrobromide
- IUPAC
- [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-(1-phenylpropan-2-yl)azanium bromide
Names & synonyms
Acetophenone, 3',4',5'-trimethoxy-2-((alpha-methylphenethyl)amino)-, hydrobromide3',4',5'-Trimethoxy-2-((alpha-methylphenethyl)amino)-acetophenone hydrobromideAcetophenone, 2-((alpha-methylphenethyl)amino)-3',4',5'-trimethoxy-, hydrobromide23771-14-4RefChem:316920
Database identifiers
- CAS
23771-14-4- PubChem CID
- 32076
Properties
Computed structural properties
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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