cyclohexanecarboximidamide hydrochloride

• ChemBase ID: 263549
• Molecular Formular: C7H15ClN2
• Molecular Mass: 162.6604
• Monoisotopic Mass: 162.09237617
• SMILES: C(=N)(C1CCCCC1)N.Cl
• Canonical SMILES: NC(=N)C1CCCCC1.Cl
• InChI: InChI=1S/C7H14N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h6H,1-5H2,(H3,8,9);1H
• InChIKey: OZEZGFFRDBWFFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexanecarboximidamide hydrochloride
• IUPAC Traditional name: cyclohexanecarboximidamide hydrochloride
• Synonyms: cyclohexanecarboximidamide hydrochloride

Database IDs

• MDL Number: MFCD08752287
• PubChem SID: 164319459
• PubChem CID: 21935039

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2624109
• LogD (pH = 7.4): -1.2619541
• Log P: 1.1530421
• Molar Refractivity: 48.2622 cm^3
• Polarizability: 14.756851 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 0.807

Product Information

• Purity: 95%