[(3S)-morpholin-3-yl]methanol

• ChemBase ID: 810319
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: [C@@H]1(COCCN1)CO
• Canonical SMILES: OC[C@H]1COCCN1
• InChI: InChI=1S/C5H11NO2/c7-3-5-4-8-2-1-6-5/h5-7H,1-4H2/t5-/m0/s1
• InChIKey: UCDFBOLUCCNTDQ-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3S)-morpholin-3-yl]methanol
• IUPAC Traditional name: (3S)-morpholin-3-ylmethanol
• Synonyms: 3(S)-HYDROXYMETHYLMORPHOLINE

Database IDs

• CAS Number: 211053-50-8

CALCULATED PROPERTIES

• Acid pKa: 15.046062
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4420893
• LogD (pH = 7.4): -1.7112976
• Log P: -1.0417138
• Molar Refractivity: 29.7304 cm^3
• Polarizability: 12.073888 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%