(6Z)-6-hydrazinylidene-3-(4-methoxyphenyl)-1,6-dihydropyridazine

• ChemBase ID: 160718
• Molecular Formular: C11H12N4O
• Molecular Mass: 216.23918
• Monoisotopic Mass: 216.10111102
• SMILES: n1c(cc/c(=N/N)/[nH]1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc/c(=N/N)/[nH]n1
• InChI: InChI=1S/C11H12N4O/c1-16-9-4-2-8(3-5-9)10-6-7-11(13-12)15-14-10/h2-7H,12H2,1H3,(H,13,15)
• InChIKey: ASGDUFOXUMFAMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6Z)-6-hydrazinylidene-3-(4-methoxyphenyl)-1,6-dihydropyridazine
• IUPAC Traditional name: (3Z)-3-hydrazinylidene-6-(4-methoxyphenyl)-2H-pyridazine
• Synonyms: 3-Hydrazino-6-(p-methoxyphenyl)-pyridazine; 3-Hydrazinyl-6-(4-methoxyphenyl)-pyridazine; SKF 91957; 3-(p-Anisyl)-6-hydrazinopyridazine

Database IDs

• CAS Number: 18772-76-4
• PubChem SID: 162254853
• PubChem CID: 15743872

CALCULATED PROPERTIES

• Acid pKa: 11.448872
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.0378411
• LogD (pH = 7.4): 1.0403026
• Log P: 1.0403972
• Molar Refractivity: 74.3227 cm^3
• Polarizability: 23.243822 Å^3
• Polar Surface Area: 72.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Brown Solid
• Melting Point: 144-150°C

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - A674000

An Intermediate for the synthesis of the drug Gabazine.