N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine

• ChemBase ID: 54095
• Molecular Formular: C8H9F3N2
• Molecular Mass: 190.1656696
• Monoisotopic Mass: 190.07178296
• SMILES: c1(cnc(cc1)N(C)C)C(F)(F)F
• Canonical SMILES: CN(c1ccc(cn1)C(F)(F)F)C
• InChI: InChI=1S/C8H9F3N2/c1-13(2)7-4-3-6(5-12-7)8(9,10)11/h3-5H,1-2H3
• InChIKey: QJBWCTIYNAUNGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
• Synonyms: Dimethyl-(5-trifluoromethyl-pyridin-2-yl)-amine

Database IDs

• MDL Number: MFCD00766812
• PubChem SID: 162058858
• PubChem CID: 2741795

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.11725
• LogD (pH = 7.4): 2.332281
• Log P: 2.3359232
• Molar Refractivity: 44.6169 cm^3
• Polarizability: 15.455881 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%