(5R,6S)-5,6-diphenylmorpholin-2-one

• ChemBase ID: 68007
• Molecular Formular: C16H15NO2
• Molecular Mass: 253.2958
• Monoisotopic Mass: 253.11027873
• SMILES: N1CC(=O)O[C@H]([C@H]1c1ccccc1)c1ccccc1
• Canonical SMILES: O=C1CN[C@@H]([C@@H](O1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H15NO2/c18-14-11-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10,15-17H,11H2/t15-,16+/m1/s1
• InChIKey: LTPOSIZJPSDSIL-CVEARBPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R,6S)-5,6-diphenylmorpholin-2-one
• IUPAC Traditional name: (5R,6S)-5,6-diphenylmorpholin-2-one
• Synonyms: (5R,6S)-5,6-Diphenyl-2-morpholinone; (5R,6S)-5,6-Diphenyl-2-morpholinone

Database IDs

• CAS Number: 282735-66-4
• MDL Number: MFCD09751026
• PubChem SID: 162033739
• PubChem CID: 11322747

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.762103
• LogD (pH = 7.4): 2.82706
• Log P: 2.8279543
• Molar Refractivity: 72.1437 cm^3
• Polarizability: 28.852766 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 98%