1-[(E)-N'-hydroxycarbamimidoyl]-N-methylformamide

• ChemBase ID: 309989
• Molecular Formular: C3H7N3O2
• Molecular Mass: 117.10658
• Monoisotopic Mass: 117.05382648
• SMILES: C(=N\O)(\C(=O)NC)/N
• Canonical SMILES: CNC(=O)/C(=N\O)/N
• InChI: InChI=1S/C3H7N3O2/c1-5-3(7)2(4)6-8/h8H,1H3,(H2,4,6)(H,5,7)
• InChIKey: DQMRGSWXCVMJRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(E)-N'-hydroxycarbamimidoyl]-N-methylformamide
• IUPAC Traditional name: 1-[(E)-N'-hydroxycarbamimidoyl]-N-methylformamide
• Synonyms: (2E)-2-amino-2-(hydroxyimino)-N-methylacetamide

Database IDs

• MDL Number: MFCD22548405

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.5873512
• LogD (pH = 7.4): -1.589586
• Log P: -1.5873142
• Molar Refractivity: 26.9235 cm^3
• Polarizability: 10.17117 Å^3
• Polar Surface Area: 87.71 Å^2