2-(morpholin-3-yl)ethan-1-ol

• ChemBase ID: 244510
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: N1C(CCO)COCC1
• Canonical SMILES: OCCC1COCCN1
• InChI: InChI=1S/C6H13NO2/c8-3-1-6-5-9-4-2-7-6/h6-8H,1-5H2
• InChIKey: TVPDWWYLCZDJKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-3-yl)ethan-1-ol
• IUPAC Traditional name: 2-(morpholin-3-yl)ethanol
• Synonyms: 2-(morpholin-3-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD09608097
• PubChem SID: 164300420
• PubChem CID: 53421081

CALCULATED PROPERTIES

• Acid pKa: 15.920295
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.5675936
• LogD (pH = 7.4): -1.8380779
• Log P: -0.9817541
• Molar Refractivity: 34.5958 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): -0.836

Product Information

• Purity: 95%