(Z)-N'-hydroxycycloprop-1-carboximidamide hydrochloride

• ChemBase ID: 255326
• Molecular Formular: C4H9ClN2O
• Molecular Mass: 136.58006
• Monoisotopic Mass: 136.0403406
• SMILES: C1(/C(=N/O)/N)CC1.Cl
• Canonical SMILES: O/N=C(/C1CC1)\N.Cl
• InChI: InChI=1S/C4H8N2O.ClH/c5-4(6-7)3-1-2-3;/h3,7H,1-2H2,(H2,5,6);1H
• InChIKey: CJLAICCBOIZZFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxycycloprop-1-carboximidamide hydrochloride
• IUPAC Traditional name: (Z)-N'-hydroxycycloprop-1-carboximidamide hydrochloride
• Synonyms: N'-hydroxycyclopropanecarboximidamide hydrochloride

Database IDs

• MDL Number: MFCD09752049
• PubChem SID: 164311236
• PubChem CID: 21560759

CALCULATED PROPERTIES

• Acid pKa: 11.884975
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7135567
• LogD (pH = 7.4): -0.19687745
• Log P: -0.18384565
• Molar Refractivity: 25.8089 cm^3
• Polarizability: 9.957099 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177 - 179°C
• Hydrophobicity(logP): -0.057

Product Information

• Purity: 95%