(E)-N'-hydroxycycloprop-1-carboximidamide

• ChemBase ID: 299999
• Molecular Formular: C4H8N2O
• Molecular Mass: 100.11912
• Monoisotopic Mass: 100.06366289
• SMILES: C1CC1/C(=N\O)/N
• Canonical SMILES: O/N=C(\C1CC1)/N
• InChI: InChI=1S/C4H8N2O/c5-4(6-7)3-1-2-3/h3,7H,1-2H2,(H2,5,6)
• InChIKey: OMCUPXRCMTUDHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-hydroxycycloprop-1-carboximidamide
• IUPAC Traditional name: (E)-N'-hydroxycycloprop-1-carboximidamide
• Synonyms: N-Hydroxycyclopropanecarboximidamide; Cyclopropanecarboxamidoxime

Database IDs

• CAS Number: 51285-13-3
• MDL Number: MFCD03426266
• PubChem SID: 180685530
• PubChem CID: 5712079

CALCULATED PROPERTIES

• Acid pKa: 11.884975
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7135567
• LogD (pH = 7.4): -0.19687745
• Log P: -0.18384565
• Molar Refractivity: 25.8089 cm^3
• Polarizability: 9.957099 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%