2-(pyridin-3-yl)morpholine

• ChemBase ID: 115637
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1(C2OCCNC2)cnccc1
• Canonical SMILES: C1COC(CN1)c1cccnc1
• InChI: InChI=1S/C9H12N2O/c1-2-8(6-10-3-1)9-7-11-4-5-12-9/h1-3,6,9,11H,4-5,7H2
• InChIKey: PPUJWYHBVHJUKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yl)morpholine
• IUPAC Traditional name: 2-(pyridin-3-yl)morpholine
• Synonyms: 2-(3-pyridinyl)morpholine; 2-pyridin-3-ylmorpholine oxalate; 2-(Pyridin-3-yl)Morpholine

Database IDs

• CAS Number: 90437-05-1
• MDL Number: MFCD03840010; MFCD10035255
• PubChem SID: 162100403
• PubChem CID: 3818464

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2327847
• LogD (pH = 7.4): -0.50241303
• Log P: 0.15518884
• Molar Refractivity: 45.8938 cm^3
• Polarizability: 18.277193 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.141

Product Information

• Purity: 95+%; 98%
• Salt Data: (COOH)2