1-[(Z)-N'-hydroxycarbamimidoyl]formamide

• ChemBase ID: 57510
• Molecular Formular: C2H5N3O2
• Molecular Mass: 103.08
• Monoisotopic Mass: 103.03817642
• SMILES: C(=O)(/C(=N/O)/N)N
• Canonical SMILES: N/C(=N\O)/C(=O)N
• InChI: InChI=1S/C2H5N3O2/c3-1(5-7)2(4)6/h7H,(H2,3,5)(H2,4,6)
• InChIKey: NZOXKLBUCRZPQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(Z)-N'-hydroxycarbamimidoyl]formamide
• IUPAC Traditional name: 1-[(Z)-N'-hydroxycarbamimidoyl]formamide
• Synonyms: (2Z)-2-Amino-2-(hydroxyimino)acetamide

Database IDs

• CAS Number: 19703-90-3
• MDL Number: MFCD13248673
• PubChem SID: 162062273
• PubChem CID: 46318242

CALCULATED PROPERTIES

• Acid pKa: 9.596256
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.8110353
• LogD (pH = 7.4): -1.813734
• Log P: -1.8109903
• Molar Refractivity: 22.0268 cm^3
• Polarizability: 8.376441 Å^3
• Polar Surface Area: 101.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false