2-(morpholin-4-yl)(2H4)ethan-1-ol

• ChemBase ID: 174820
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C1COCCN1CCO
• Canonical SMILES: OCCN1CCOCC1
• InChI: InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
• InChIKey: KKFDCBRMNNSAAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)(^2H₄)ethan-1-ol
• IUPAC Traditional name: 2-(morpholin-4-yl)(^2H₄)ethanol
• Synonyms: 2-(4-Morpholino)ethyl Alcohol-d4; 2-(4-Morpholinyl)-1-ethanol-d4; 4-(2-Hydroxyethyl)morpholine-d4; NSC 1946-d4; 4-Morpholineethanol-d4

Database IDs

• CAS Number: 1185052-90-7
• PubChem SID: 164230730
• PubChem CID: 45039965

CALCULATED PROPERTIES

• Acid pKa: 15.59298
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.413004
• LogD (pH = 7.4): -0.9279184
• Log P: -0.718433
• Molar Refractivity: 35.3549 cm^3
• Polarizability: 13.90578 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Methanol
• Apperance: Colourless Oil

DETAILS

Toronto Research Chemicals - M723752

Labelled analogue 4-(2-Hydroxyethyl)morpholine, a morphiline derivative used in the preparation of ester prodrugs of naproxen. 4-(2-Hydroxyethyl)morpholine was also shown to induce repair in rat hepatocyte primary culture/DNA.