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

• ChemBase ID: 13430
• Molecular Formular: C7H14ClNO3
• Molecular Mass: 195.64396
• Monoisotopic Mass: 195.06622099
• SMILES: C1OCCN(C1)C(C(=O)O)C.Cl
• Canonical SMILES: CC(C(=O)O)N1CCOCC1.Cl
• InChI: InChI=1S/C7H13NO3.ClH/c1-6(7(9)10)8-2-4-11-5-3-8;/h6H,2-5H2,1H3,(H,9,10);1H
• InChIKey: ZKEGDUIFZVBHQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)propanoic acid hydrochloride
• IUPAC Traditional name: 2-(morpholin-4-yl)propanoic acid hydrochloride
• Synonyms: 2-Morpholin-4-ylpropanoic acid hydrochloride; 2-Morpholin-4-yl-propionic acid hydrochloride; 2-morpholin-4-ylpropanoic acid hydrochloride

Database IDs

• MDL Number: MFCD06801124
• PubChem SID: 160976737
• PubChem CID: 43810774

CALCULATED PROPERTIES

• Acid pKa: 3.0623984
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2538366
• LogD (pH = 7.4): -2.9007242
• Log P: -2.2403429
• Molar Refractivity: 39.6411 cm^3
• Polarizability: 15.687127 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): -1.093

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C7H14ClNO3

DETAILS

Sigma Aldrich - CBR00946

Other Notes
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Legal Information
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