(3S)-3-phenylmorpholine

• ChemBase ID: 802695
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: [C@@H]1(COCCN1)c1ccccc1
• Canonical SMILES: O1CCN[C@H](C1)c1ccccc1
• InChI: InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-5,10-11H,6-8H2/t10-/m1/s1
• InChIKey: MHZXKVPCJBPNKI-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-phenylmorpholine
• IUPAC Traditional name: (3S)-3-phenylmorpholine
• Synonyms: (S)-3-PHENYLMORPHOLINE

Database IDs

• CAS Number: 914299-79-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9510636
• LogD (pH = 7.4): 0.77107644
• Log P: 1.3728613
• Molar Refractivity: 48.0507 cm^3
• Polarizability: 19.191576 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%