2-aminocyclooctane-1-carboxylic acid hydrochloride

• ChemBase ID: 236727
• Molecular Formular: C9H18ClNO2
• Molecular Mass: 207.69772
• Monoisotopic Mass: 207.1026065
• SMILES: C1(C(=O)O)C(N)CCCCCC1.Cl
• Canonical SMILES: OC(=O)C1CCCCCCC1N.Cl
• InChI: InChI=1S/C9H17NO2.ClH/c10-8-6-4-2-1-3-5-7(8)9(11)12;/h7-8H,1-6,10H2,(H,11,12);1H
• InChIKey: CGMSVJGKMJLCPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminocyclooctane-1-carboxylic acid hydrochloride
• IUPAC Traditional name: 2-aminocyclooctane-1-carboxylic acid hydrochloride
• Synonyms: 2-aminocyclooctane-1-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD22369845
• PubChem SID: 164292637
• PubChem CID: 53396880

CALCULATED PROPERTIES

• Acid pKa: 4.279527
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8418791
• LogD (pH = 7.4): -0.82144475
• Log P: -0.82169527
• Molar Refractivity: 46.2209 cm^3
• Polarizability: 18.621471 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): -0.623

Product Information

• Purity: 95%