8-aminooctanoic acid hydrochloride

• ChemBase ID: 285639
• Molecular Formular: C8H18ClNO2
• Molecular Mass: 195.68702
• Monoisotopic Mass: 195.1026065
• SMILES: C(=O)(O)CCCCCCCN.Cl
• Canonical SMILES: NCCCCCCCC(=O)O.Cl
• InChI: InChI=1S/C8H17NO2.ClH/c9-7-5-3-1-2-4-6-8(10)11;/h1-7,9H2,(H,10,11);1H
• InChIKey: IYHHYVVMODWLBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-aminooctanoic acid hydrochloride
• IUPAC Traditional name: 8-aminooctanoic acid hydrochloride
• Synonyms: 8-aminooctanoic acid hydrochloride

Database IDs

• MDL Number: MFCD11707022
• PubChem SID: 180671170
• PubChem CID: 17803404

CALCULATED PROPERTIES

• Acid pKa: 4.8309174
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1746017
• LogD (pH = 7.4): -1.10739
• Log P: -1.1085718
• Molar Refractivity: 43.8618 cm^3
• Polarizability: 17.506392 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): -1.177

Product Information

• Purity: 95%