(E)-N'-hydroxy-2-(piperidin-1-yl)ethenimidamide

• ChemBase ID: 297537
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: C1CCN(CC1)C/C(=N\O)/N
• Canonical SMILES: O/N=C(\CN1CCCCC1)/N
• InChI: InChI=1S/C7H15N3O/c8-7(9-11)6-10-4-2-1-3-5-10/h11H,1-6H2,(H2,8,9)
• InChIKey: FWFVZEXRAAFFEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-hydroxy-2-(piperidin-1-yl)ethenimidamide
• IUPAC Traditional name: (E)-N'-hydroxy-2-(piperidin-1-yl)ethenimidamide
• Synonyms: N-Hydroxy-1-piperidineethanimidamide; 2-(1-Piperidino)acetamidoxime; 2-(1-Piperidinyl)acetamidoxime; 2-哌啶基羟基乙脒

Database IDs

• CAS Number: 175136-64-8
• MDL Number: MFCD00052662
• PubChem SID: 180683068
• PubChem CID: 5702866

CALCULATED PROPERTIES

• Acid pKa: 11.185958
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2676766
• LogD (pH = 7.4): -0.607452
• Log P: -0.22177726
• Molar Refractivity: 43.9807 cm^3
• Polarizability: 16.983902 Å^3
• Polar Surface Area: 61.85 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: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%