4-(5-methylpyridin-2-yl)morpholine

• ChemBase ID: 796831
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C1COCCN1c1ncc(cc1)C
• Canonical SMILES: Cc1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C10H14N2O/c1-9-2-3-10(11-8-9)12-4-6-13-7-5-12/h2-3,8H,4-7H2,1H3
• InChIKey: HWRPGNXTCRPZGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-methylpyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-methylpyridin-2-yl)morpholine
• Synonyms: 4-(5-Methylpyridin-2-yl)Morpholine

Database IDs

• CAS Number: 251101-37-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6539319
• LogD (pH = 7.4): 1.6612273
• Log P: 1.7529957
• Molar Refractivity: 52.7589 cm^3
• Polarizability: 19.660387 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%