2-(morpholin-4-yl)acetic acid hydrochloride

• ChemBase ID: 13132
• Molecular Formular: C6H12ClNO3
• Molecular Mass: 181.61738
• Monoisotopic Mass: 181.05057093
• SMILES: C1OCCN(C1)CC(=O)O.Cl
• Canonical SMILES: OC(=O)CN1CCOCC1.Cl
• InChI: InChI=1S/C6H11NO3.ClH/c8-6(9)5-7-1-3-10-4-2-7;/h1-5H2,(H,8,9);1H
• InChIKey: ICGYBJNONRDZOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)acetic acid hydrochloride
• IUPAC Traditional name: morpholin-4-ylacetic acid hydrochloride
• Synonyms: Morpholin-4-yl-acetic acid hydrochloride; Morpholin-4-ylacetic acid hydrochloride; 2-morpholinoacetic acid hydrochloride; 2-(morpholin-4-yl)acetic acid hydrochloride

Database IDs

• CAS Number: 3235-69-6
• MDL Number: MFCD03540888
• PubChem SID: 160976439
• PubChem CID: 17750946

CALCULATED PROPERTIES

• Acid pKa: 2.9507053
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7001138
• LogD (pH = 7.4): -3.5250018
• Log P: -2.6728914
• Molar Refractivity: 35.1472 cm^3
• Polarizability: 13.865244 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.969

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 97%
• Salt Data: HCl