(E)-6-amino-N'-hydroxypyridine-3-carboximidamide

• ChemBase ID: 297811
• Molecular Formular: C6H8N4O
• Molecular Mass: 152.15392
• Monoisotopic Mass: 152.0698109
• SMILES: c1cc(ncc1/C(=N\O)/N)N
• Canonical SMILES: O/N=C(\c1ccc(nc1)N)/N
• InChI: InChI=1S/C6H8N4O/c7-5-2-1-4(3-9-5)6(8)10-11/h1-3,11H,(H2,7,9)(H2,8,10)
• InChIKey: UNQVQCRLWPIZCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-6-amino-N'-hydroxypyridine-3-carboximidamide
• IUPAC Traditional name: (E)-6-amino-N'-hydroxypyridine-3-carboximidamide
• Synonyms: 6-Aminopyridine-3-carboxamidoxime; 5-(2-Aminopyridyl)amidoxime; 6-Aminonicotinamidoxime; 6-氨基烟碱胺肟

Database IDs

• CAS Number: 468068-28-2
• MDL Number: MFCD09910192
• PubChem SID: 180683342
• PubChem CID: 51650789

CALCULATED PROPERTIES

• Acid pKa: 11.973687
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.6551538
• LogD (pH = 7.4): -0.5629285
• Log P: -0.5616083
• Molar Refractivity: 41.9372 cm^3
• Polarizability: 14.987338 Å^3
• Polar Surface Area: 97.52 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192-195°C

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

Product Information

• Purity: 97%