2-(2,6-dimethylmorpholin-4-yl)ethan-1-ol hydrochloride

• ChemBase ID: 239631
• Molecular Formular: C8H18ClNO2
• Molecular Mass: 195.68702
• Monoisotopic Mass: 195.1026065
• SMILES: N1(CC(OC(C1)C)C)CCO.Cl
• Canonical SMILES: OCCN1CC(C)OC(C1)C.Cl
• InChI: InChI=1S/C8H17NO2.ClH/c1-7-5-9(3-4-10)6-8(2)11-7;/h7-8,10H,3-6H2,1-2H3;1H
• InChIKey: MSXGUJSKYSOJEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylmorpholin-4-yl)ethan-1-ol hydrochloride
• IUPAC Traditional name: 2-(2,6-dimethylmorpholin-4-yl)ethanol hydrochloride
• Synonyms: 2-(2,6-dimethylmorpholin-4-yl)ethan-1-ol hydrochloride

Database IDs

• MDL Number: MFCD08459594
• PubChem SID: 164295541
• PubChem CID: 71756446

CALCULATED PROPERTIES

• Acid pKa: 15.592947
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0726526
• LogD (pH = 7.4): -0.3655423
• Log P: 0.11471705
• Molar Refractivity: 44.1925 cm^3
• Polarizability: 17.57783 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.55

Product Information

• Purity: 95%