2-(morpholin-3-yl)acetic acid hydrochloride

• ChemBase ID: 288466
• Molecular Formular: C6H12ClNO3
• Molecular Mass: 181.61738
• Monoisotopic Mass: 181.05057093
• SMILES: Cl.OC(=O)CC1COCCN1
• Canonical SMILES: OC(=O)CC1COCCN1.Cl
• InChI: InChI=1S/C6H11NO3.ClH/c8-6(9)3-5-4-10-2-1-7-5;/h5,7H,1-4H2,(H,8,9);1H
• InChIKey: LFOMNFLGCFFCQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-3-yl)acetic acid hydrochloride
• IUPAC Traditional name: morpholin-3-ylacetic acid hydrochloride
• Synonyms: 2-(Morpholin-3-yl)acetic acid hydrochloride

Database IDs

• CAS Number: 86967-55-7
• MDL Number: MFCD11506159
• PubChem SID: 180673997
• PubChem CID: 13099576

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.106759
• LogD (pH = 7.4): -3.134502
• Log P: -3.1049268
• 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
• Acid pKa: 3.5490909

PROPERTIES

Product Information

• Purity: 95+%