1-hydrazinylisoquinoline

• ChemBase ID: 308791
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: c1(nccc2c1cccc2)NN
• Canonical SMILES: NNc1nccc2c1cccc2
• InChI: InChI=1S/C9H9N3/c10-12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,10H2,(H,11,12)
• InChIKey: IOOUWJDACLDFNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydrazinylisoquinoline
• IUPAC Traditional name: 1-hydrazinylisoquinoline
• Synonyms: 1-(ISOQUINOLIN-1-YL)HYDRAZINE; 1-hydrazinoisoquinoline

Database IDs

• CAS Number: 15793-94-9
• MDL Number: MFCD09834980

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.24780402
• LogD (pH = 7.4): 0.6331739
• Log P: 1.7311503
• Molar Refractivity: 50.3715 cm^3
• Polarizability: 19.558023 Å^3
• Polar Surface Area: 50.94 Å^2

PROPERTIES

Product Information

• Purity: 98%