1-hydroxycyclohexane-1-carboximidamide hydrochloride

• ChemBase ID: 799786
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: Cl.C1(CCCCC1)(C(=N)N)O
• Canonical SMILES: NC(=N)C1(O)CCCCC1.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c8-6(9)7(10)4-2-1-3-5-7;/h10H,1-5H2,(H3,8,9);1H
• InChIKey: FCNJOWLTYRKFGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydroxycyclohexane-1-carboximidamide hydrochloride
• IUPAC Traditional name: 1-hydroxycyclohexane-1-carboximidamide hydrochloride
• Synonyms: 1-hydroxycyclohexanecarboximidamide hydrochloride

Database IDs

• CAS Number: 86239-29-4

CALCULATED PROPERTIES

• Acid pKa: 13.474876
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.160056
• LogD (pH = 7.4): -1.8552752
• Log P: 0.24970949
• Molar Refractivity: 49.8162 cm^3
• Polarizability: 15.383713 Å^3
• Polar Surface Area: 70.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%