4-(4-benzoylphenyl)morpholine

• ChemBase ID: 112691
• Molecular Formular: C17H17NO2
• Molecular Mass: 267.32238
• Monoisotopic Mass: 267.12592879
• SMILES: O=C(c1ccccc1)c1ccc(cc1)N1CCOCC1
• Canonical SMILES: O=C(c1ccccc1)c1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C17H17NO2/c19-17(14-4-2-1-3-5-14)15-6-8-16(9-7-15)18-10-12-20-13-11-18/h1-9H,10-13H2
• InChIKey: CGCQHMFVCNWSOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-benzoylphenyl)morpholine
• IUPAC Traditional name: 4-(4-benzoylphenyl)morpholine
• Synonyms: 4-MORPHOLINOBENZOPHENONE; 4-Morpholinobenzophenone; 4-吗啉二苯甲酮

Database IDs

• CAS Number: 24758-49-4
• EC Number: 246-447-7
• MDL Number: MFCD00006167
• PubChem SID: 162097398; 24848265
• PubChem CID: 90600

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3221412
• LogD (pH = 7.4): 3.3221424
• Log P: 3.3221424
• Molar Refractivity: 80.1366 cm^3
• Polarizability: 30.452354 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138-141 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N)
• German water hazard class: 3
• Risk Statements: 50
• Safety Statements: 61
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H400
• GHS Precautionary statements: P273

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C17H17NO2

DETAILS

MP Biomedicals - 05225323

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 136204

Packaging
5 g in glass bottle