2-Bromo-7-(dimethylamino)-4,4-diphenylheptan-3-one
Basic information
- CAS
5436-08-8- Standard SMILES
CC(Br)C(=O)C(CCCN(C)C)(c1ccccc1)c1ccccc1- InChIKey
YYXKJOTWBKSNBS-UHFFFAOYSA-N- Molecular formula
- C21H26BrNO
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 387.11978
Names & identifiers
- Preferred name
- 2-Bromo-7-(dimethylamino)-4,4-diphenylheptan-3-one
- IUPAC
- 2-bromo-7-(dimethylamino)-4,4-diphenylheptan-3-one
Names & synonyms
5436-08-8NSC213492-bromo-7-(dimethylamino)-4,4-diphenylheptan-3-oneDTXSID90328341NSC-21349
Database identifiers
- CAS
5436-08-8- PubChem CID
- 409479
- DTXSID
DTXSID90328341
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 365
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Related reactions
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Compound notes
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