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

• ChemBase ID: 300036
• Molecular Formular: C11H18N2O
• Molecular Mass: 194.27342
• Monoisotopic Mass: 194.14191321
• SMILES: C1C2CC3CC1CC(C2)(C3)/C(=N\O)/N
• Canonical SMILES: O/N=C(\C12CC3CC(C2)CC(C1)C3)/N
• InChI: InChI=1S/C11H18N2O/c12-10(13-14)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9,14H,1-6H2,(H2,12,13)
• InChIKey: ISVFJWIOFPUALW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-hydroxyadamant-1-carboximidamide
• IUPAC Traditional name: (E)-N'-hydroxyadamant-1-carboximidamide
• Synonyms: Adamantane-1-carboxamidoxime

Database IDs

• MDL Number: MFCD08166282

CALCULATED PROPERTIES

• Acid pKa: 11.6649885
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1675717
• LogD (pH = 7.4): 1.6286769
• Log P: 1.6394801
• Molar Refractivity: 54.1543 cm^3
• Polarizability: 21.360727 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%