[4-(trifluoromethyl)phenyl]methanamine hydrochloride

• ChemBase ID: 263105
• Molecular Formular: C8H9ClF3N
• Molecular Mass: 211.6119696
• Monoisotopic Mass: 211.03756163
• SMILES: C(c1ccc(cc1)CN)(F)(F)F.Cl
• Canonical SMILES: NCc1ccc(cc1)C(F)(F)F.Cl
• InChI: InChI=1S/C8H8F3N.ClH/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-4H,5,12H2;1H
• InChIKey: DDDIOEYMKVFUGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(trifluoromethyl)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [4-(trifluoromethyl)phenyl]methanamine hydrochloride
• Synonyms: [4-(trifluoromethyl)phenyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD07780751
• PubChem SID: 164319015
• PubChem CID: 16090351

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0068517
• LogD (pH = 7.4): -0.035617426
• Log P: 1.9768628
• Molar Refractivity: 40.5051 cm^3
• Polarizability: 14.78975 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 280 - 282°C
• Hydrophobicity(logP): 1.977

Product Information

• Purity: 95%