(3S)-3-(pyridin-2-yl)morpholine

• ChemBase ID: 795910
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: [C@@H]1(COCCN1)c1ncccc1
• Canonical SMILES: C1CN[C@H](CO1)c1ccccn1
• InChI: InChI=1S/C9H12N2O/c1-2-4-10-8(3-1)9-7-12-6-5-11-9/h1-4,9,11H,5-7H2/t9-/m1/s1
• InChIKey: DVUOZCFMRLDACP-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-(pyridin-2-yl)morpholine
• IUPAC Traditional name: (3S)-3-(pyridin-2-yl)morpholine
• Synonyms: (S)-3-(Pyridin-2-yl)Morpholine

Database IDs

• CAS Number: 1213373-02-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.79440135
• LogD (pH = 7.4): 0.31660864
• Log P: 0.38884994
• Molar Refractivity: 45.4467 cm^3
• Polarizability: 18.279718 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%