1-(morpholin-4-yl)-1-phenylpropan-2-one

• ChemBase ID: 234707
• Molecular Formular: C13H17NO2
• Molecular Mass: 219.27958
• Monoisotopic Mass: 219.12592879
• SMILES: N1(C(C(=O)C)c2ccccc2)CCOCC1
• Canonical SMILES: CC(=O)C(c1ccccc1)N1CCOCC1
• InChI: InChI=1S/C13H17NO2/c1-11(15)13(12-5-3-2-4-6-12)14-7-9-16-10-8-14/h2-6,13H,7-10H2,1H3
• InChIKey: DLJPYFJGCHICGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-1-phenylpropan-2-one
• IUPAC Traditional name: 1-(morpholin-4-yl)-1-phenylpropan-2-one
• Synonyms: 1-morpholin-4-yl-1-phenylacetone

Database IDs

• CAS Number: 19134-49-7
• MDL Number: MFCD06360127
• PubChem SID: 164290617
• PubChem CID: 4983230

CALCULATED PROPERTIES

• Acid pKa: 16.491001
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3717486
• LogD (pH = 7.4): 1.7091509
• Log P: 1.7157073
• Molar Refractivity: 63.0562 cm^3
• Polarizability: 24.77676 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.508

Product Information

• Purity: 95%