(Z)-N'-hydroxymethenimidamide

• ChemBase ID: 60396
• Molecular Formular: CH4N2O
• Molecular Mass: 60.05526
• Monoisotopic Mass: 60.03236276
• SMILES: N(=C\N)\O
• Canonical SMILES: N/C=N\O
• InChI: InChI=1S/CH4N2O/c2-1-3-4/h1,4H,(H2,2,3)
• InChIKey: IONSZLINWCGRRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxymethenimidamide
• IUPAC Traditional name: (Z)-N'-hydroxymethenimidamide
• Synonyms: N'-Hydroxyimidoformamide

Database IDs

• CAS Number: 624-82-8
• MDL Number: MFCD19103371
• PubChem SID: 162026137
• PubChem CID: 5354577

CALCULATED PROPERTIES

• Acid pKa: 12.33457
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2216578
• LogD (pH = 7.4): -1.0157267
• Log P: -1.0123405
• Molar Refractivity: 13.9192 cm^3
• Polarizability: 5.209992 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false