(2S)-2-phenylmorpholine

• ChemBase ID: 291764
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: [C@H]1(c2ccccc2)CNCCO1
• Canonical SMILES: N1CCO[C@H](C1)c1ccccc1
• InChI: InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2/t10-/m1/s1
• InChIKey: ZLNGFYDJXZZFJP-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-phenylmorpholine
• IUPAC Traditional name: (2S)-2-phenylmorpholine
• Synonyms: (S)-2-Phenylmorpholine

Database IDs

• CAS Number: 74572-15-9
• MDL Number: MFCD20278301
• PubChem SID: 180677295
• PubChem CID: 937783

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -1.1635758
• LogD (pH = 7.4): 0.56966066
• Log P: 1.3728613
• Molar Refractivity: 48.0507 cm^3
• Polarizability: 19.189884 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Product Information

• Purity: 95+%