2-(pyridin-2-yl)morpholine

• ChemBase ID: 796616
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C1C(OCCN1)c1ncccc1
• Canonical SMILES: C1COC(CN1)c1ccccn1
• InChI: InChI=1S/C9H12N2O/c1-2-4-11-8(3-1)9-7-10-5-6-12-9/h1-4,9-10H,5-7H2
• InChIKey: FJJYSUQONMBDJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1018656-53-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8790143
• LogD (pH = 7.4): -0.16613439
• Log P: 0.38884994
• Molar Refractivity: 45.4467 cm^3
• Polarizability: 18.278425 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%