3-(pyridin-4-yl)morpholine

• ChemBase ID: 796481
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C1(COCCN1)c1ccncc1
• Canonical SMILES: O1CCNC(C1)c1ccncc1
• InChI: InChI=1S/C9H12N2O/c1-3-10-4-2-8(1)9-7-12-6-5-11-9/h1-4,9,11H,5-7H2
• InChIKey: JXKIACFCCSSPTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridin-4-yl)morpholine
• IUPAC Traditional name: 3-(pyridin-4-yl)morpholine
• Synonyms: 3-(Pyridin-4-yl)Morpholine

Database IDs

• CAS Number: 143798-67-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8540035
• LogD (pH = 7.4): -0.21564615
• Log P: 0.15518884
• Molar Refractivity: 45.8938 cm^3
• Polarizability: 18.278458 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%