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

• ChemBase ID: 795793
• Molecular Formular: C6H14ClNO2
• Molecular Mass: 167.63386
• Monoisotopic Mass: 167.07130637
• SMILES: Cl.C(CC1COCCN1)O
• Canonical SMILES: OCCC1COCCN1.Cl
• InChI: InChI=1S/C6H13NO2.ClH/c8-3-1-6-5-9-4-2-7-6;/h6-8H,1-5H2;1H
• InChIKey: KFQCAEIOQZDQPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

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

Product Information

• Purity: 98%