4-aminopentanoic acid hydrochloride

• ChemBase ID: 277281
• Molecular Formular: C5H12ClNO2
• Molecular Mass: 153.60728
• Monoisotopic Mass: 153.05565631
• SMILES: C(=O)(CCC(N)C)O.Cl
• Canonical SMILES: CC(CCC(=O)O)N.Cl
• InChI: InChI=1S/C5H11NO2.ClH/c1-4(6)2-3-5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H
• InChIKey: HRBUADXBDUKOMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminopentanoic acid hydrochloride
• IUPAC Traditional name: (1)-4-aminopentanoic acid hydrochloride
• Synonyms: 4-aminopentanoic acid hydrochloride

Database IDs

• MDL Number: MFCD19686405
• PubChem SID: 164333191
• PubChem CID: 12338835

CALCULATED PROPERTIES

• Acid pKa: 4.625802
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5124178
• LogD (pH = 7.4): -2.4686623
• Log P: -2.4693215
• Molar Refractivity: 29.8766 cm^3
• Polarizability: 12.004493 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): -2.462

Product Information

• Purity: 95%