7-(trifluoromethyl)quinolin-4-amine

• ChemBase ID: 6626
• Molecular Formular: C10H7F3N2
• Molecular Mass: 212.1711896
• Monoisotopic Mass: 212.05613289
• SMILES: c1nc2c(c(c1)N)ccc(c2)C(F)(F)F
• Canonical SMILES: Nc1ccnc2c1ccc(c2)C(F)(F)F
• InChI: InChI=1S/C10H7F3N2/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-5H,(H2,14,15)
• InChIKey: QZOOIAOULGJTJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(trifluoromethyl)quinolin-4-amine
• IUPAC Traditional name: 7-(trifluoromethyl)quinolin-4-amine
• Synonyms: 7-(trifluoromethyl)quinolin-4-amine; 4-Amino-7-(trifluoromethyl)quinoline; 7-Trifluoromethyl-4-quinolinamine; 4-Amino-7-(trifluoromethyl)quinoline; 7-(trifluoromethyl)-4-quinolinamine; 4-氨基-7-(三氟甲基)喹啉

Database IDs

• CAS Number: 243666-11-7
• MDL Number: MFCD00269411
• PubChem SID: 160969933
• PubChem CID: 2735960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.89822716
• LogD (pH = 7.4): 1.7718326
• Log P: 2.179823
• Molar Refractivity: 50.6534 cm^3
• Polarizability: 19.079903 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: 98%