1-aminocyclohexane-1-carboxamide hydrochloride

• ChemBase ID: 258831
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: C(=O)(C1(N)CCCCC1)N.Cl
• Canonical SMILES: NC(=O)C1(N)CCCCC1.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c8-6(10)7(9)4-2-1-3-5-7;/h1-5,9H2,(H2,8,10);1H
• InChIKey: YXFBZYCCECRIQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminocyclohexane-1-carboxamide hydrochloride
• IUPAC Traditional name: 1-aminocyclohexane-1-carboxamide hydrochloride
• Synonyms: 1-aminocyclohexane-1-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD09759198
• PubChem SID: 164314741
• PubChem CID: 42948600

CALCULATED PROPERTIES

• Acid pKa: 16.42897
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7575357
• LogD (pH = 7.4): -1.2949688
• Log P: 0.07299951
• Molar Refractivity: 38.8796 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 278 - 280°C
• Hydrophobicity(logP): 0.06

Product Information

• Purity: 95%