(E)-N'-hydroxypiperidine-4-carboximidamide

• ChemBase ID: 300074
• Molecular Formular: C6H13N3O
• Molecular Mass: 143.18692
• Monoisotopic Mass: 143.10586205
• SMILES: C1CNCCC1/C(=N\O)/N
• Canonical SMILES: O/N=C(\C1CCNCC1)/N
• InChI: InChI=1S/C6H13N3O/c7-6(9-10)5-1-3-8-4-2-5/h5,8,10H,1-4H2,(H2,7,9)
• InChIKey: SQZQSQVPENGEOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-hydroxypiperidine-4-carboximidamide
• IUPAC Traditional name: (E)-N'-hydroxypiperidine-4-carboximidamide
• Synonyms: Piperidine-4-carboxamidoxime

Database IDs

• MDL Number: MFCD21117392

CALCULATED PROPERTIES

• Acid pKa: 12.004931
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.575301
• LogD (pH = 7.4): -3.654515
• Log P: -1.0265579
• Molar Refractivity: 38.8413 cm^3
• Polarizability: 15.148357 Å^3
• Polar Surface Area: 70.64 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%