(5-methylmorpholin-2-yl)methanol

• ChemBase ID: 239307
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: N1CC(OCC1C)CO
• Canonical SMILES: CC1COC(CN1)CO
• InChI: InChI=1S/C6H13NO2/c1-5-4-9-6(3-8)2-7-5/h5-8H,2-4H2,1H3
• InChIKey: LXFMWDJIAVDCQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methylmorpholin-2-yl)methanol
• IUPAC Traditional name: (5-methylmorpholin-2-yl)methanol
• Synonyms: (5-methylmorpholin-2-yl)methanol

Database IDs

• MDL Number: MFCD22378719
• PubChem SID: 164295217
• PubChem CID: 71756382

CALCULATED PROPERTIES

• Acid pKa: 14.636764
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.2063751
• LogD (pH = 7.4): -1.4763981
• Log P: -0.6251388
• Molar Refractivity: 34.1492 cm^3
• Polarizability: 13.90578 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.577

Product Information

• Purity: 95%