4-hydrazinyl-6-(trifluoromethyl)quinoline hydrochloride

• ChemBase ID: 813203
• Molecular Formular: C10H9ClF3N3
• Molecular Mass: 263.6467696
• Monoisotopic Mass: 263.04370964
• SMILES: Cl.c1cc2c(cc1C(F)(F)F)c(ccn2)NN
• Canonical SMILES: NNc1ccnc2c1cc(cc2)C(F)(F)F.Cl
• InChI: InChI=1S/C10H8F3N3.ClH/c11-10(12,13)6-1-2-8-7(5-6)9(16-14)3-4-15-8;/h1-5H,14H2,(H,15,16);1H
• InChIKey: SWXAHLBYQCKSGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-6-(trifluoromethyl)quinoline hydrochloride
• IUPAC Traditional name: 4-hydrazinyl-6-(trifluoromethyl)quinoline hydrochloride
• Synonyms: 4-HYDRAZINO-6-TRIFLUOROMETHYLQUINOLINE HYDROCHLORIDE

Database IDs

• CAS Number: 1170816-62-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5360315
• LogD (pH = 7.4): 2.3763926
• Log P: 2.4003916
• Molar Refractivity: 55.6597 cm^3
• Polarizability: 20.511578 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%