3-hydrazinyl-6-methylpyridazine

• ChemBase ID: 25210
• Molecular Formular: C5H8N4
• Molecular Mass: 124.14382
• Monoisotopic Mass: 124.07489628
• SMILES: n1nc(ccc1NN)C
• Canonical SMILES: Cc1ccc(nn1)NN
• InChI: InChI=1S/C5H8N4/c1-4-2-3-5(7-6)9-8-4/h2-3H,6H2,1H3,(H,7,9)
• InChIKey: FIEDFVRFAQARPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-6-methylpyridazine
• IUPAC Traditional name: 3-hydrazinyl-6-methylpyridazine
• Synonyms: 3-hydrazinyl-6-methylpyridazine; 3-Hydrazino-6-methylpyridazine

Database IDs

• CAS Number: 38956-79-5
• MDL Number: MFCD00067771
• PubChem SID: 160988517
• PubChem CID: 12379804

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -0.7662297
• LogD (pH = 7.4): -0.12582755
• Log P: -0.10672625
• Molar Refractivity: 38.3761 cm^3
• Polarizability: 12.879908 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 18.944397
• H Acceptors: 4

PROPERTIES

Physical Property

• Melting Point: 107 - 109°C
• Hydrophobicity(logP): 0.498

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%