methyl 8-aminooctanoate hydrochloride

• ChemBase ID: 238233
• Molecular Formular: C9H20ClNO2
• Molecular Mass: 209.7136
• Monoisotopic Mass: 209.11825657
• SMILES: C(=O)(OC)CCCCCCCN.Cl
• Canonical SMILES: NCCCCCCCC(=O)OC.Cl
• InChI: InChI=1S/C9H19NO2.ClH/c1-12-9(11)7-5-3-2-4-6-8-10;/h2-8,10H2,1H3;1H
• InChIKey: DNMCSEZPFDMEHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 8-aminooctanoate hydrochloride
• IUPAC Traditional name: methyl 8-aminooctanoate hydrochloride
• Synonyms: methyl 8-aminooctanoate hydrochloride

Database IDs

• MDL Number: MFCD22375357
• PubChem SID: 164294143
• PubChem CID: 12878164

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7216212
• LogD (pH = 7.4): -1.3018446
• Log P: 1.3023671
• Molar Refractivity: 48.6309 cm^3
• Polarizability: 19.596916 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): 1.469

Product Information

• Purity: 95%