2-hydrazinyl-4-methylpyridine

• ChemBase ID: 57202
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c1cnc(cc1C)NN
• Canonical SMILES: Cc1cc(NN)ncc1
• InChI: InChI=1S/C6H9N3/c1-5-2-3-8-6(4-5)9-7/h2-4H,7H2,1H3,(H,8,9)
• InChIKey: FNFPJUDYICAQSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-methylpyridine
• IUPAC Traditional name: 2-hydrazinyl-4-methylpyridine
• Synonyms: 2-hydrazinyl-4-methylpyridine; 2-Hydrazino-4-methylpyridine

Database IDs

• CAS Number: 4931-00-4
• MDL Number: MFCD09863246
• PubChem SID: 162061965
• PubChem CID: 12266739

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.2330844
• LogD (pH = 7.4): -0.050694037
• Log P: 1.2550949
• Molar Refractivity: 38.9625 cm^3
• Polarizability: 13.7540245 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 1.239

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%