2-(morpholin-2-yl)acetic acid hydrochloride

• ChemBase ID: 55113
• Molecular Formular: C6H12ClNO3
• Molecular Mass: 181.61738
• Monoisotopic Mass: 181.05057093
• SMILES: C1CNCC(O1)CC(=O)O.Cl
• Canonical SMILES: OC(=O)CC1CNCCO1.Cl
• InChI: InChI=1S/C6H11NO3.ClH/c8-6(9)3-5-4-7-1-2-10-5;/h5,7H,1-4H2,(H,8,9);1H
• InChIKey: ZLGFQSPNFIEARF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-2-yl)acetic acid hydrochloride
• IUPAC Traditional name: morpholin-2-ylacetic acid hydrochloride
• Synonyms: Morpholin-2-ylacetic acid hydrochloride

Database IDs

• CAS Number: 180863-27-8
• MDL Number: MFCD07779523
• PubChem SID: 162059876
• PubChem CID: 45259920

CALCULATED PROPERTIES

• Acid pKa: 4.0798106
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1182837
• LogD (pH = 7.4): -3.1251283
• Log P: -3.1097333
• Molar Refractivity: 34.2221 cm^3
• Polarizability: 13.865244 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false