1-Bromo-7-(dimethylamino)-3,3-diphenylheptan-2-one
Basic information
- CAS
5457-15-8- Standard SMILES
CN(C)CCCCC(C(=O)CBr)(c1ccccc1)c1ccccc1- InChIKey
YLRCHBNKPCVZRP-UHFFFAOYSA-N- Molecular formula
- C21H26BrNO
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 387.11978
Names & identifiers
- Preferred name
- 1-Bromo-7-(dimethylamino)-3,3-diphenylheptan-2-one
- IUPAC
- 1-bromo-7-(dimethylamino)-3,3-diphenylheptan-2-one
Names & synonyms
5457-15-8NSC213501-bromo-7-(dimethylamino)-3,3-diphenylheptan-2-oneDTXSID50328342NSC-21350
Database identifiers
- CAS
5457-15-8- PubChem CID
- 409480
- DTXSID
DTXSID50328342
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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