[3-(methylamino)oxolan-3-yl]methanol

• ChemBase ID: 249166
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C1(NC)(CCOC1)CO
• Canonical SMILES: CNC1(CO)COCC1
• InChI: InChI=1S/C6H13NO2/c1-7-6(4-8)2-3-9-5-6/h7-8H,2-5H2,1H3
• InChIKey: IJYWSVFAMSRAOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(methylamino)oxolan-3-yl]methanol
• IUPAC Traditional name: [3-(methylamino)oxolan-3-yl]methanol
• Synonyms: [3-(methylamino)oxolan-3-yl]methanol

Database IDs

• MDL Number: MFCD18333889
• PubChem SID: 164305076
• PubChem CID: 54595158

CALCULATED PROPERTIES

• Acid pKa: 14.702281
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.1726804
• LogD (pH = 7.4): -2.8582604
• Log P: -1.0579854
• Molar Refractivity: 34.4854 cm^3
• Polarizability: 13.90578 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.901

Product Information

• Purity: 95%