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

• ChemBase ID: 279135
• Molecular Formular: C6H14ClNO2
• Molecular Mass: 167.63386
• Monoisotopic Mass: 167.07130637
• SMILES: C1(NC)(CCOC1)CO.Cl
• Canonical SMILES: CNC1(CO)COCC1.Cl
• InChI: InChI=1S/C6H13NO2.ClH/c1-7-6(4-8)2-3-9-5-6;/h7-8H,2-5H2,1H3;1H
• InChIKey: JKUQJMAHLYIHKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20233603
• PubChem SID: 164335045
• PubChem CID: 54595157

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%