3-tert-butyl-6-hydrazinylpyridazine

• ChemBase ID: 276553
• Molecular Formular: C8H14N4
• Molecular Mass: 166.22356
• Monoisotopic Mass: 166.12184647
• SMILES: n1nc(NN)ccc1C(C)(C)C
• Canonical SMILES: NNc1ccc(nn1)C(C)(C)C
• InChI: InChI=1S/C8H14N4/c1-8(2,3)6-4-5-7(10-9)12-11-6/h4-5H,9H2,1-3H3,(H,10,12)
• InChIKey: KINKITHTVMJPGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-tert-butyl-6-hydrazinylpyridazine
• IUPAC Traditional name: 3-tert-butyl-6-hydrazinylpyridazine
• Synonyms: 3-tert-butyl-6-hydrazinylpyridazine

Database IDs

• MDL Number: MFCD16169000
• PubChem SID: 164332463
• PubChem CID: 13499980

CALCULATED PROPERTIES

• Acid pKa: 18.748764
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2411289
• LogD (pH = 7.4): 1.682919
• Log P: 1.6928102
• Molar Refractivity: 52.0785 cm^3
• Polarizability: 18.392982 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.825

Product Information

• Purity: 95%