Basic information
- CAS
5455-91-4- Standard SMILES
CC(=O)C(C(c1ccccc1)N1CCOCC1)N1CCOCC1- InChIKey
VXZFZOFWTCDDNB-UHFFFAOYSA-N- Molecular formula
- C18H26N2O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.1943427
Names & identifiers
- Preferred name
- Morpholine, (1-acetyl-2-phenylethylene)di-
- IUPAC
- 3,4-dimorpholin-4-yl-4-phenylbutan-2-one
- English name
- 3,4-Di(4-morpholinyl)-4-phenyl-2-butanone
- Molecular formula
- C18H26N2O3
- Molecular weight
- 318.41
Names & synonyms
5455-91-4Morpholine, (1-acetyl-2-phenylethylene)di-RefChem:1089923NSC54774-(2-Acetyl-2-morpholino-1-phenylethyl)morpholine3,4-dimorpholino-4-phenylbutan-2-oneMLS002637813NSC 54772-Butanone,4-di-4-morpholinyl-4-phenyl-Morpholine, 1-acetyl-2-phenylethylene)di-3,4-Di-4-morpholinyl-4-phenyl-2-butanoneNSC 150249
Show more names
BRN 0093194NSC-5477Morpholine, 1-acetyl-2-(phenylethylene)di-2-Butanone, 3,4-di-4-morpholinyl-4-phenyl-3,4-dimorpholino-4-phenyl-butan-2-one3,4-di(4-morpholinyl)-4-phenyl-2-butanone4-27-00-00478 (Beilstein Handbook Reference)3,4-BIS(MORPHOLIN-4-YL)-4-PHENYLBUTAN-2-ONE
Database identifiers
- CAS
5455-91-4- PubChem CID
- 95378
- DTXSID
DTXSID00969789- ChEMBL
CHEMBL1906310- Nikkaji
- J41.770J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Melting point
- 163 · 163-164 °C
- Boiling point
- 429.3 · 429.3±45.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- pka
- 5.38 · 5.38±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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