Basic information
- CAS
89434-18-4- Standard SMILES
CNCCCC(=O)c1ccccc1- InChIKey
FATHLVFIKNGZAA-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 4-(Methylamino)-1-phenylbutan-1-one
- IUPAC
- 4-(methylamino)-1-phenylbutan-1-one
Names & synonyms
4-(METHYLAMINO)-1-PHENYLBUTAN-1-ONE89434-18-4SCHEMBL20643854DTXSID30695347
Database identifiers
- CAS
89434-18-4- PubChem CID
- 53404240
- DTXSID
DTXSID30695347
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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