8-(trifluoromethyl)quinolin-4-amine

• ChemBase ID: 6627
• Molecular Formular: C10H7F3N2
• Molecular Mass: 212.1711896
• Monoisotopic Mass: 212.05613289
• SMILES: c1nc2c(c(c1)N)cccc2C(F)(F)F
• Canonical SMILES: Nc1ccnc2c1cccc2C(F)(F)F
• InChI: InChI=1S/C10H7F3N2/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-5H,(H2,14,15)
• InChIKey: JTMLOHYYNHRKTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(trifluoromethyl)quinolin-4-amine
• IUPAC Traditional name: 8-(trifluoromethyl)quinolin-4-amine
• Synonyms: 8-Trifluoromethyl-4-quinolinamine; 4-Amino-8-(trifluoromethyl)quinoline; 4-Amino-8-(trifluoromethyl)quinoline; 8-(trifluoromethyl)quinolin-4-amine; 8-(trifluoromethyl)-4-quinolinamine; 4-氨基-8-(三氟甲基)喹啉

Database IDs

• CAS Number: 243977-15-3
• MDL Number: MFCD00269346
• PubChem SID: 160969934
• PubChem CID: 2735961

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1159364
• LogD (pH = 7.4): 2.0774894
• Log P: 2.179823
• Molar Refractivity: 50.6534 cm^3
• Polarizability: 19.083263 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%