1-hydrazinyl-4-methylphthalazine

• ChemBase ID: 173782
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: c1cccc2c1c(nnc2NN)C
• Canonical SMILES: NNc1nnc(c2c1cccc2)C
• InChI: InChI=1S/C9H10N4/c1-6-7-4-2-3-5-8(7)9(11-10)13-12-6/h2-5H,10H2,1H3,(H,11,13)
• InChIKey: XAJLIPKOOUAUFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydrazinyl-4-methylphthalazine
• IUPAC Traditional name: 1-hydrazinyl-4-methylphthalazine
• Synonyms: 1-Hydrazinyl-4-methylphthalazine; 4-Methyl-1(2H)-phthalazinone Hydrazone; 1-Hydrazino-4-methylphthalazine; 4-Methyl-1-hydrazinophthalazine; 1-Hydrazinyl-4-methyl-phthalazine Hydrochloride; 4-Methyl-1(2H)-phthalazinone Hydrazone Monohydrochloride; 1-Hydrazino-4-methylphthalazine Hydrochloride; 4-Methyl-1-hydrazinophthalizine Hydrochloride

Database IDs

• CAS Number: 29902-28-1; 63868-76-8
• PubChem SID: 164229692
• PubChem CID: 3047908

CALCULATED PROPERTIES

• Acid pKa: 18.69199
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.16221298
• LogD (pH = 7.4): 0.8305504
• Log P: 0.8827505
• Molar Refractivity: 54.8263 cm^3
• Polarizability: 20.397978 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Water
• Apperance: Very Light Yellow Solid; Yellow Crystalline Solid
• Melting Point: 294-297°C dec.; 318-320°C dec.

DETAILS

Toronto Research Chemicals - M312495

4-Methyl-1-hydrazinophthalazine is used in the synthesis of novel phthalazine derivatives as antihypertensive agents.

Toronto Research Chemicals - M312500

4-Methyl-1-hydrazinophthalazine is used in the synthesis of novel phthalazine derivatives as antihypertensive agents.