5-hydrazinylquinoline

• ChemBase ID: 25054
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: c12c(NN)cccc1nccc2
• Canonical SMILES: NNc1cccc2c1cccn2
• InChI: InChI=1S/C9H9N3/c10-12-9-5-1-4-8-7(9)3-2-6-11-8/h1-6,12H,10H2
• InChIKey: YZKWEHGEHPCODG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydrazinylquinoline
• IUPAC Traditional name: 5-hydrazinylquinoline
• Synonyms: 5-Hydrazinoquinoline

Database IDs

• MDL Number: MFCD06809704
• PubChem SID: 160988361
• PubChem CID: 5200451

CALCULATED PROPERTIES

• Acid pKa: 19.606075
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2500856
• LogD (pH = 7.4): 1.5177938
• Log P: 1.5225431
• Molar Refractivity: 49.686 cm^3
• Polarizability: 19.56335 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 1.881

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%