4-hydrazinyl-7-(trifluoromethyl)quinoline

• ChemBase ID: 99513
• Molecular Formular: C10H8F3N3
• Molecular Mass: 227.1858296
• Monoisotopic Mass: 227.06703193
• SMILES: n1ccc(c2ccc(cc12)C(F)(F)F)NN
• Canonical SMILES: NNc1ccnc2c1ccc(c2)C(F)(F)F
• InChI: InChI=1S/C10H8F3N3/c11-10(12,13)6-1-2-7-8(16-14)3-4-15-9(7)5-6/h1-5H,14H2,(H,15,16)
• InChIKey: FLBHSBYFKNVRDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-7-(trifluoromethyl)quinoline
• IUPAC Traditional name: 4-hydrazinyl-7-(trifluoromethyl)quinoline
• Synonyms: 4-Hydrazino-7-(trifluoromethyl)quinoline; 4-HYDRAZINO 7-TRIFLUOROMETHYL-QUINOLINE

Database IDs

• CAS Number: 49612-01-3
• MDL Number: MFCD00272471
• PubChem SID: 162085777
• PubChem CID: 15585954

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.838571
• LogD (pH = 7.4): 2.390153
• Log P: 2.4003916
• Molar Refractivity: 55.6597 cm^3
• Polarizability: 20.511839 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%