2-amino-2-cyclohexylacetic acid hydrochloride

• ChemBase ID: 261371
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C(=O)(C(C1CCCCC1)N)O.Cl
• Canonical SMILES: NC(C(=O)O)C1CCCCC1.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c9-7(8(10)11)6-4-2-1-3-5-6;/h6-7H,1-5,9H2,(H,10,11);1H
• InChIKey: QMUIOFNZAZPFFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-cyclohexylacetic acid hydrochloride
• IUPAC Traditional name: cyclohexylglycine hydrochloride
• Synonyms: 2-amino-2-cyclohexylacetic acid hydrochloride

Database IDs

• MDL Number: MFCD00274788
• PubChem SID: 164317281
• PubChem CID: 2817526

CALCULATED PROPERTIES

• Acid pKa: 2.6718812
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0834962
• LogD (pH = 7.4): -1.0856206
• Log P: -1.0832036
• Molar Refractivity: 41.4937 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 266 - 268°C
• Hydrophobicity(logP): -1.093

Product Information

• Purity: 95%