2-[(2S)-morpholin-2-yl]acetic acid hydrochloride

• ChemBase ID: 294583
• Molecular Formular: C6H12ClNO3
• Molecular Mass: 181.61738
• Monoisotopic Mass: 181.05057093
• SMILES: O=C(O)C[C@H]1CNCCO1.Cl
• Canonical SMILES: OC(=O)C[C@H]1CNCCO1.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/t5-;/m0./s1
• InChIKey: ZLGFQSPNFIEARF-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1352709-57-9
• PubChem SID: 180680114
• PubChem CID: 72183423

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

Product Information

• Purity: 95+%