morpholin-2-ol hydrochloride

• ChemBase ID: 53196
• Molecular Formular: C4H10ClNO2
• Molecular Mass: 139.5807
• Monoisotopic Mass: 139.04000625
• SMILES: N1CC(OCC1)O.Cl
• Canonical SMILES: OC1CNCCO1.Cl
• InChI: InChI=1S/C4H9NO2.ClH/c6-4-3-5-1-2-7-4;/h4-6H,1-3H2;1H
• InChIKey: BNTZPYZTYZBPSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholin-2-ol hydrochloride
• IUPAC Traditional name: morpholin-2-ol hydrochloride
• Synonyms: Morpholin-2-ol hydrochloride

Database IDs

• CAS Number: 79323-24-3
• MDL Number: MFCD14708235
• PubChem SID: 162057959
• PubChem CID: 12751542

CALCULATED PROPERTIES

• Acid pKa: 12.117909
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0305243
• LogD (pH = 7.4): -1.3204792
• Log P: -0.7756029
• Molar Refractivity: 24.7978 cm^3
• Polarizability: 10.246324 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.113

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%