4-hydrazinylquinoline

• ChemBase ID: 87890
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: n1ccc(c2ccccc12)NN
• Canonical SMILES: NNc1ccnc2c1cccc2
• InChI: InChI=1S/C9H9N3/c10-12-9-5-6-11-8-4-2-1-3-7(8)9/h1-6H,10H2,(H,11,12)
• InChIKey: MYGFXCLXHGITIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinylquinoline
• IUPAC Traditional name: 4-hydrazinylquinoline
• Synonyms: 4-Hydrazinoquinoline; 4-hydrazinylquinoline

Database IDs

• CAS Number: 15793-93-8
• MDL Number: MFCD00272468
• PubChem SID: 162074930
• PubChem CID: 7020411

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5822766
• LogD (pH = 7.4): 1.4929724
• Log P: 1.5225431
• Molar Refractivity: 49.686 cm^3
• Polarizability: 19.559862 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 2.124

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 98%