1-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylformamide

• ChemBase ID: 310020
• Molecular Formular: C4H9N3O2
• Molecular Mass: 131.13316
• Monoisotopic Mass: 131.06947654
• SMILES: C(=N\O)(\C(=O)N(C)C)/N
• Canonical SMILES: O/N=C(\C(=O)N(C)C)/N
• InChI: InChI=1S/C4H9N3O2/c1-7(2)4(8)3(5)6-9/h9H,1-2H3,(H2,5,6)
• InChIKey: HXDWEGSYTNRECG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylformamide
• IUPAC Traditional name: 1-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylformamide
• Synonyms: (2E)-2-amino-2-(hydroxyimino)-N,N-dimethylacetamide

Database IDs

• MDL Number: MFCD22548408

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3636707
• LogD (pH = 7.4): -1.3656888
• Log P: -1.3636382
• Molar Refractivity: 31.8202 cm^3
• Polarizability: 11.977857 Å^3
• Polar Surface Area: 78.92 Å^2