4-(morpholin-4-yl)butanoic acid hydrochloride

• ChemBase ID: 15582
• Molecular Formular: C8H16ClNO3
• Molecular Mass: 209.67054
• Monoisotopic Mass: 209.08187106
• SMILES: C(C(=O)O)CCN1CCOCC1.Cl
• Canonical SMILES: OC(=O)CCCN1CCOCC1.Cl
• InChI: InChI=1S/C8H15NO3.ClH/c10-8(11)2-1-3-9-4-6-12-7-5-9;/h1-7H2,(H,10,11);1H
• InChIKey: GQWYWIYUQZVZAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)butanoic acid hydrochloride
• IUPAC Traditional name: 4-(morpholin-4-yl)butanoic acid hydrochloride
• Synonyms: Morpholin-4-ylbutanoic acid hydrochloride

Database IDs

• CAS Number: 39493-84-0
• MDL Number: MFCD06801119
• PubChem SID: 160978889
• PubChem CID: 12733746

CALCULATED PROPERTIES

• Acid pKa: 4.1352086
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6846883
• LogD (pH = 7.4): -2.8103812
• Log P: -2.6788318
• Molar Refractivity: 44.6016 cm^3
• Polarizability: 17.513292 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false