3-hydrazinyl-6-phenylpyridazine

• ChemBase ID: 24765
• Molecular Formular: C10H10N4
• Molecular Mass: 186.2132
• Monoisotopic Mass: 186.09054634
• SMILES: n1nc(NN)ccc1c1ccccc1
• Canonical SMILES: NNc1ccc(nn1)c1ccccc1
• InChI: InChI=1S/C10H10N4/c11-12-10-7-6-9(13-14-10)8-4-2-1-3-5-8/h1-7H,11H2,(H,12,14)
• InChIKey: ZNGXOKMCRDQBON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 38956-80-8
• MDL Number: MFCD01219682
• PubChem SID: 160988072
• PubChem CID: 6409842

CALCULATED PROPERTIES

• Acid pKa: 18.502052
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5129423
• LogD (pH = 7.4): 1.7900103
• Log P: 1.7949792
• Molar Refractivity: 58.5488 cm^3
• Polarizability: 22.091373 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 2.097

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C10H10N4

DETAILS

Sigma Aldrich - CBR00023

Other Notes
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Legal Information
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