3-(pyridin-3-yl)morpholine

• ChemBase ID: 76302
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: N1C(c2cccnc2)COCC1
• Canonical SMILES: C1CNC(CO1)c1cccnc1
• InChI: InChI=1S/C9H12N2O/c1-2-8(6-10-3-1)9-7-12-5-4-11-9/h1-3,6,9,11H,4-5,7H2
• InChIKey: RNOJNTZCFOIEMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridin-3-yl)morpholine
• IUPAC Traditional name: 3-(pyridin-3-yl)morpholine
• Synonyms: 3-(Morpholin-3-yl)pyridine; 3-(Pyridin-3-yl)morpholine

Database IDs

• CAS Number: 887344-25-4
• MDL Number: MFCD04113629
• PubChem SID: 162041208
• PubChem CID: 3714163

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7590334
• LogD (pH = 7.4): -0.16018948
• Log P: 0.15518884
• Molar Refractivity: 45.8938 cm^3
• Polarizability: 18.278748 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%