8-hydrazinylquinoline

• ChemBase ID: 118547
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: c12c(NN)cccc2cccn1
• Canonical SMILES: NNc1cccc2c1nccc2
• InChI: InChI=1S/C9H9N3/c10-12-8-5-1-3-7-4-2-6-11-9(7)8/h1-6,12H,10H2
• InChIKey: HJJRRHBSMQOZQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydrazinylquinoline
• IUPAC Traditional name: 8-hydrazinylquinoline
• Synonyms: 8-hydrazinoquinoline dihydrochloride; 8-hydrazinoquinoline

Database IDs

• CAS Number: 14148-42-6
• MDL Number: MFCD00462947
• PubChem SID: 162107435
• PubChem CID: 594433

CALCULATED PROPERTIES

• Acid pKa: 17.272697
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3052733
• LogD (pH = 7.4): 1.5190089
• Log P: 1.5225431
• Molar Refractivity: 49.686 cm^3
• Polarizability: 19.56709 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.873

Product Information

• Purity: 95+%
• Salt Data: 2 HCl