ethyl 2-(cyclohexylamino)acetate hydrochloride

• ChemBase ID: 276960
• Molecular Formular: C10H20ClNO2
• Molecular Mass: 221.7243
• Monoisotopic Mass: 221.11825657
• SMILES: C(=O)(CNC1CCCCC1)OCC.Cl
• Canonical SMILES: CCOC(=O)CNC1CCCCC1.Cl
• InChI: InChI=1S/C10H19NO2.ClH/c1-2-13-10(12)8-11-9-6-4-3-5-7-9;/h9,11H,2-8H2,1H3;1H
• InChIKey: IJHVTABCXCQABK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(cyclohexylamino)acetate hydrochloride
• IUPAC Traditional name: ethyl 2-(cyclohexylamino)acetate hydrochloride
• Synonyms: ethyl 2-(cyclohexylamino)acetate hydrochloride

Database IDs

• MDL Number: MFCD19686279
• PubChem SID: 164332870
• PubChem CID: 13089670

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.17990671
• LogD (pH = 7.4): 1.4687291
• Log P: 1.5870774
• Molar Refractivity: 51.3099 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): 2.153

Product Information

• Purity: 95%