5-(dimethylamino)pentanoic acid hydrochloride

• ChemBase ID: 270166
• Molecular Formular: C7H16ClNO2
• Molecular Mass: 181.66044
• Monoisotopic Mass: 181.08695644
• SMILES: C(=O)(O)CCCCN(C)C.Cl
• Canonical SMILES: CN(CCCCC(=O)O)C.Cl
• InChI: InChI=1S/C7H15NO2.ClH/c1-8(2)6-4-3-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
• InChIKey: HOHQBFGGPNOAFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(dimethylamino)pentanoic acid hydrochloride
• IUPAC Traditional name: 5-(dimethylamino)pentanoic acid hydrochloride
• Synonyms: 5-(dimethylamino)pentanoic acid hydrochloride

Database IDs

• MDL Number: MFCD00035089
• PubChem SID: 164326076
• PubChem CID: 22832099

CALCULATED PROPERTIES

• Acid pKa: 4.782978
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1525786
• LogD (pH = 7.4): -2.0925243
• Log P: -2.0929446
• Molar Refractivity: 40.1281 cm^3
• Polarizability: 15.66981 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160 - 162°C
• Hydrophobicity(logP): -2.082

Product Information

• Purity: 95%