2-amino-N-cyclohexylacetamide hydrochloride

• ChemBase ID: 49748
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(NC1CCCCC1)CN.Cl
• Canonical SMILES: NCC(=O)NC1CCCCC1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c9-6-8(11)10-7-4-2-1-3-5-7;/h7H,1-6,9H2,(H,10,11);1H
• InChIKey: AGRLXAOESLMGQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclohexylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-cyclohexylacetamide hydrochloride
• Synonyms: 2-Amino-N-cyclohexylacetamide hydrochloride

Database IDs

• CAS Number: 14432-21-4
• MDL Number: MFCD09027322
• PubChem SID: 162054511
• PubChem CID: 13992964

CALCULATED PROPERTIES

• Acid pKa: 15.912793
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4242935
• LogD (pH = 7.4): -0.74109024
• Log P: 0.06852843
• Molar Refractivity: 43.7365 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201 - 203°C
• Hydrophobicity(logP): 0.426

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%