(Z)-N'-hydroxyethenimidamide hydrochloride

• ChemBase ID: 264194
• Molecular Formular: C2H7ClN2O
• Molecular Mass: 110.54278
• Monoisotopic Mass: 110.02469053
• SMILES: C(=N\O)(\N)/C.Cl
• Canonical SMILES: C/C(=N/O)/N.Cl
• InChI: InChI=1S/C2H6N2O.ClH/c1-2(3)4-5;/h5H,1H3,(H2,3,4);1H
• InChIKey: YFDYEHIAUKXEDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxyethenimidamide hydrochloride
• IUPAC Traditional name: (Z)-N'-hydroxyethenimidamide hydrochloride
• Synonyms: N'-hydroxyethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD11500908
• PubChem SID: 164320104
• PubChem CID: 5487680

CALCULATED PROPERTIES

• Acid pKa: 12.550309
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6102966
• LogD (pH = 7.4): -0.9822668
• Log P: -0.9636419
• Molar Refractivity: 18.4097 cm^3
• Polarizability: 7.0190883 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138 - 140°C
• Hydrophobicity(logP): -0.411

Product Information

• Purity: 95%