1-benzyl-2-{[4-(trifluoromethyl)phenyl]methyl}hydrazine hydrochloride

• ChemBase ID: 101822
• Molecular Formular: C15H16ClF3N2
• Molecular Mass: 316.7491496
• Monoisotopic Mass: 316.09541086
• SMILES: C(c1ccc(cc1)CNNCc1ccccc1)(F)(F)F.Cl
• Canonical SMILES: FC(c1ccc(cc1)CNNCc1ccccc1)(F)F.Cl
• InChI: InChI=1S/C15H15F3N2.ClH/c16-15(17,18)14-8-6-13(7-9-14)11-20-19-10-12-4-2-1-3-5-12;/h1-9,19-20H,10-11H2;1H
• InChIKey: BGVJJQAGJDWTPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2-{[4-(trifluoromethyl)phenyl]methyl}hydrazine hydrochloride
• IUPAC Traditional name: 1-benzyl-2-{[4-(trifluoromethyl)phenyl]methyl}hydrazine hydrochloride
• Synonyms: 1-benzyl-2-[4-(trifluoromethyl)benzyl]hydrazine hydrochloride

Database IDs

• PubChem SID: 162105639
• PubChem CID: 71300132

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3600647
• LogD (pH = 7.4): 3.732759
• Log P: 3.7403564
• Molar Refractivity: 94.4221 cm^3
• Polarizability: 27.399452 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 90%