3-(5-methylfuran-2-yl)morpholine

• ChemBase ID: 275792
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: c1(oc(cc1)C)C1NCCOC1
• Canonical SMILES: Cc1ccc(o1)C1COCCN1
• InChI: InChI=1S/C9H13NO2/c1-7-2-3-9(12-7)8-6-11-5-4-10-8/h2-3,8,10H,4-6H2,1H3
• InChIKey: KBDCVIFDYRXZEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-methylfuran-2-yl)morpholine
• IUPAC Traditional name: 3-(5-methylfuran-2-yl)morpholine
• Synonyms: 3-(5-methylfuran-2-yl)morpholine

Database IDs

• MDL Number: MFCD18699922
• PubChem SID: 164331702
• PubChem CID: 54593864

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.547464
• LogD (pH = 7.4): 0.56098926
• Log P: 0.6326692
• Molar Refractivity: 45.5913 cm^3
• Polarizability: 17.81587 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.825

Product Information

• Purity: 95%