morpholin-2-ylmethanol

• ChemBase ID: 68177
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: C(O)C1CNCCO1
• Canonical SMILES: OCC1CNCCO1
• InChI: InChI=1S/C5H11NO2/c7-4-5-3-6-1-2-8-5/h5-7H,1-4H2
• InChIKey: VLAZLCVSFAYIIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholin-2-ylmethanol; (morpholin-2-yl)methanol
• IUPAC Traditional name: morpholin-2-ylmethanol
• Synonyms: Morpholin-2-ylmethanol

Database IDs

• CAS Number: 103003-01-6
• MDL Number: MFCD03426271
• PubChem SID: 162033909
• PubChem CID: 3497988

CALCULATED PROPERTIES

• Acid pKa: 14.636797
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.550191
• LogD (pH = 7.4): -1.815999
• 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

Physical Property

• Hydrophobicity(logP): -1.096

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%