2-[6-(trifluoromethyl)pyridin-2-yl]propan-2-amine hydrochloride

• ChemBase ID: 289068
• Molecular Formular: C9H12ClF3N2
• Molecular Mass: 240.6531896
• Monoisotopic Mass: 240.06411073
• SMILES: CC(N)(c1nc(C(F)(F)F)ccc1)C.Cl
• Canonical SMILES: CC(c1cccc(n1)C(F)(F)F)(N)C.Cl
• InChI: InChI=1S/C9H11F3N2.ClH/c1-8(2,13)6-4-3-5-7(14-6)9(10,11)12;/h3-5H,13H2,1-2H3;1H
• InChIKey: IQPBJVFOJZTMOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[6-(trifluoromethyl)pyridin-2-yl]propan-2-amine hydrochloride
• IUPAC Traditional name: 2-[6-(trifluoromethyl)pyridin-2-yl]propan-2-amine hydrochloride
• Synonyms: 2-(6-(Trifluoromethyl)pyridin-2-yl)propan-2-amine hydrochloride

Database IDs

• CAS Number: 1192356-27-6
• MDL Number: MFCD21603634
• PubChem SID: 180674599
• PubChem CID: 57346991

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.67131644
• LogD (pH = 7.4): 0.6560919
• Log P: 2.2280426
• Molar Refractivity: 46.6612 cm^3
• Polarizability: 17.596357 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%