6-hydrazinylquinoline

• ChemBase ID: 118548
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: n1c2c(cc(NN)cc2)ccc1
• Canonical SMILES: NNc1ccc2c(c1)cccn2
• InChI: InChI=1S/C9H9N3/c10-12-8-3-4-9-7(6-8)2-1-5-11-9/h1-6,12H,10H2
• InChIKey: CLEZMGKIRJUQCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinylquinoline
• IUPAC Traditional name: 6-hydrazinylquinoline
• Synonyms: 6-hydrazinoquinoline

Database IDs

• MDL Number: MFCD09997909
• PubChem SID: 162098073
• PubChem CID: 12334114

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2453569
• LogD (pH = 7.4): 1.5180826
• Log P: 1.5225431
• Molar Refractivity: 49.686 cm^3
• Polarizability: 19.562153 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.912

Product Information

• Purity: 95+%