5-aminopentanamide hydrochloride

• ChemBase ID: 246496
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=O)(N)CCCCN.Cl
• Canonical SMILES: NCCCCC(=O)N.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H2,7,8);1H
• InChIKey: AGVRUUAXBANYLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopentanamide hydrochloride
• IUPAC Traditional name: aminopentamide hydrochloride
• Synonyms: 5-aminopentanamide hydrochloride

Database IDs

• PubChem SID: 164302406
• PubChem CID: 13292336

CALCULATED PROPERTIES

• Acid pKa: 16.94113
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.9992485
• LogD (pH = 7.4): -3.3778527
• Log P: -0.98417556
• Molar Refractivity: 31.881 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.414

Product Information

• Purity: 95%