(Z)-N'-hydroxycyclohex-1-carboximidamide

• ChemBase ID: 260420
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C(=N\O)(/C1CCCCC1)\N
• Canonical SMILES: O/N=C(/C1CCCCC1)\N
• InChI: InChI=1S/C7H14N2O/c8-7(9-10)6-4-2-1-3-5-6/h6,10H,1-5H2,(H2,8,9)
• InChIKey: BJIYJPYMLUBLJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxycyclohex-1-carboximidamide
• IUPAC Traditional name: (Z)-N'-hydroxycyclohex-1-carboximidamide
• Synonyms: N'-hydroxycyclohexanecarboximidamide

Database IDs

• MDL Number: MFCD03426264
• PubChem SID: 164316330
• PubChem CID: 9625928

CALCULATED PROPERTIES

• Acid pKa: 12.087148
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.61943585
• LogD (pH = 7.4): 1.136814
• Log P: 1.1498604
• Molar Refractivity: 39.6119 cm^3
• Polarizability: 15.454851 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 1.62

Product Information

• Purity: 95%