N-(2-aminoethyl)-2-cyclohexylacetamide hydrochloride

• ChemBase ID: 267242
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: C(=O)(NCCN)CC1CCCCC1.Cl
• Canonical SMILES: NCCNC(=O)CC1CCCCC1.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c11-6-7-12-10(13)8-9-4-2-1-3-5-9;/h9H,1-8,11H2,(H,12,13);1H
• InChIKey: UCOFSZQGMFHHTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-2-cyclohexylacetamide hydrochloride
• IUPAC Traditional name: N-(2-aminoethyl)-2-cyclohexylacetamide hydrochloride
• Synonyms: N-(2-aminoethyl)-2-cyclohexylacetamide hydrochloride

Database IDs

• MDL Number: MFCD16040160
• PubChem SID: 164323152
• PubChem CID: 47002970

CALCULATED PROPERTIES

• Acid pKa: 16.315912
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2433007
• LogD (pH = 7.4): -1.0496142
• Log P: 0.6985076
• Molar Refractivity: 53.0897 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): 1.319

Product Information

• Purity: 95%