1-benzyl-2-[(2,4-dimethylphenyl)methyl]hydrazine dihydrochloride

• ChemBase ID: 101829
• Molecular Formular: C16H22Cl2N2
• Molecular Mass: 313.26528
• Monoisotopic Mass: 312.11600407
• SMILES: c1(c(ccc(c1)C)CNNCc1ccccc1)C.Cl.Cl
• Canonical SMILES: Cc1ccc(c(c1)C)CNNCc1ccccc1.Cl.Cl
• InChI: InChI=1S/C16H20N2.2ClH/c1-13-8-9-16(14(2)10-13)12-18-17-11-15-6-4-3-5-7-15;;/h3-10,17-18H,11-12H2,1-2H3;2*1H
• InChIKey: ROHWYTSOBCMELQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2-[(2,4-dimethylphenyl)methyl]hydrazine dihydrochloride
• IUPAC Traditional name: 1-benzyl-2-[(2,4-dimethylphenyl)methyl]hydrazine dihydrochloride
• Synonyms: 1-benzyl-2-(2,4-dimethylbenzyl)hydrazine dihydrochloride

Database IDs

• PubChem SID: 162105641
• PubChem CID: 71300135

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4177628
• LogD (pH = 7.4): 3.8787394
• Log P: 3.889351
• Molar Refractivity: 98.5308 cm^3
• Polarizability: 30.06997 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true