(Z)-N'-hydroxy-3-methylpyridine-2-carboximidamide

• ChemBase ID: 77132
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: n1c(c(ccc1)C)/C(=N/O)/N
• Canonical SMILES: O/N=C(/c1ncccc1C)\N
• InChI: InChI=1S/C7H9N3O/c1-5-3-2-4-9-6(5)7(8)10-11/h2-4,11H,1H3,(H2,8,10)
• InChIKey: UQDFGZCCSCDNSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-3-methylpyridine-2-carboximidamide; N'-hydroxy-3-methylpyridine-2-carboximidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-3-methylpyridine-2-carboximidamide; N'-hydroxy-3-methylpyridine-2-carboximidamide
• Synonyms: N'-hydroxy-3-methyl-2-pyridinecarboximidamide; 3-Methylpyridine-2-carboxamidoxime; N'-Hydroxy-3-methyl-2-pyridinecarboximidamide; 3-Methylpyridine-2-acetamide oxime; 3-甲基吡啶-2-酰胺肟

Database IDs

• CAS Number: 690632-33-8
• MDL Number: MFCD06200877
• PubChem SID: 162042006
• PubChem CID: 6508981

CALCULATED PROPERTIES

• Acid pKa: 10.678394
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.57005554
• LogD (pH = 7.4): 0.5717811
• Log P: 0.5721319
• Molar Refractivity: 41.5925 cm^3
• Polarizability: 15.592767 Å^3
• Polar Surface Area: 71.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88-92°C

Safety Information

• Storage Warning: Irritant
• 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%