Basic information
- CAS
6045-93-8- Standard SMILES
O=C(CCC(=O)N1CCOCC1)c1ccccc1- InChIKey
NKHOEIIMKOSLOM-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione
- IUPAC
- 1-morpholin-4-yl-4-phenylbutane-1,4-dione
Names & synonyms
4-(3-Benzoylpropionyl)morpholineAP 36Morpholine, 4-(3-benzoylpropionyl)-Morpholine, 4-(1,4-dioxo-4-phenylbutyl)-0HF5X3513A6045-93-8DTXSID00209192RefChem:1054456DTXCID201316831-(4-Morpholinyl)-4-phenyl-1,4-butanedioneBRN 0215024UNII-0HF5X3513A
Show more names
1-(morpholin-4-yl)-4-phenylbutane-1,4-dione4-27-00-00366 (Beilstein Handbook Reference)AKOS0170785684-(4-morpholinyl)-4-oxo-1-phenyl-1-butanoneQ272367851,4-BUTANEDIONE, 1-(4-MORPHOLINYL)-4-PHENYL-
Database identifiers
- CAS
6045-93-8- PubChem CID
- 201468
- DTXSID
DTXSID00209192- UNII
- 0HF5X3513A
- Nikkaji
- J1.228.094G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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