cyclohexyl 2-aminoacetate hydrochloride

• ChemBase ID: 286179
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C(=O)(OC1CCCCC1)CN.Cl
• Canonical SMILES: NCC(=O)OC1CCCCC1.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c9-6-8(10)11-7-4-2-1-3-5-7;/h7H,1-6,9H2;1H
• InChIKey: XRILFBYIYXXWFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl 2-aminoacetate hydrochloride
• IUPAC Traditional name: cyclohexyl 2-aminoacetate hydrochloride
• Synonyms: cyclohexyl 2-aminoacetate hydrochloride

Database IDs

• MDL Number: MFCD21602738
• PubChem SID: 180671710
• PubChem CID: 14180607

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.78714794
• LogD (pH = 7.4): 0.62504524
• Log P: 0.797689
• Molar Refractivity: 41.7867 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145°C
• Hydrophobicity(logP): 1.283

Product Information

• Purity: 95%