(E)-N'-hydroxybutimidamide

• ChemBase ID: 297666
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: CCC/C(=N\O)/N
• Canonical SMILES: CCC/C(=N\O)/N
• InChI: InChI=1S/C4H10N2O/c1-2-3-4(5)6-7/h7H,2-3H2,1H3,(H2,5,6)
• InChIKey: OPENCMFJZQABIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-hydroxybutimidamide
• IUPAC Traditional name: (E)-N'-hydroxybutimidamide
• Synonyms: N-Hydroxybutyramidine; Butyramidoxime; 丁脒肟

Database IDs

• CAS Number: 27620-10-6
• MDL Number: MFCD05663152
• PubChem SID: 180683197
• PubChem CID: 5712087

CALCULATED PROPERTIES

• Acid pKa: 12.448715
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.407142
• LogD (pH = 7.4): 0.16581826
• Log P: 0.18146263
• Molar Refractivity: 27.6376 cm^3
• Polarizability: 10.669806 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338