1-benzyl-1-[(2,4,6-trimethylphenyl)methyl]hydrazine

• ChemBase ID: 25020
• Molecular Formular: C17H22N2
• Molecular Mass: 254.36998
• Monoisotopic Mass: 254.17829871
• SMILES: c1(c(cc(cc1C)C)C)CN(Cc1ccccc1)N
• Canonical SMILES: NN(Cc1c(C)cc(cc1C)C)Cc1ccccc1
• InChI: InChI=1S/C17H22N2/c1-13-9-14(2)17(15(3)10-13)12-19(18)11-16-7-5-4-6-8-16/h4-10H,11-12,18H2,1-3H3
• InChIKey: UWGNXKLUDHWAGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-1-[(2,4,6-trimethylphenyl)methyl]hydrazine
• IUPAC Traditional name: 1-benzyl-1-[(2,4,6-trimethylphenyl)methyl]hydrazine
• Synonyms: 1-Benzyl-1-(mesitylmethyl)hydrazine

Database IDs

• MDL Number: MFCD09163795
• PubChem SID: 160988327
• PubChem CID: 13379579

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.690828
• LogD (pH = 7.4): 4.112016
• Log P: 4.12119
• Molar Refractivity: 83.5263 cm^3
• Polarizability: 31.835354 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false