{4-[(4-hydrazinylphenyl)methyl]phenyl}hydrazine

• ChemBase ID: 173575
• Molecular Formular: C13H16N4
• Molecular Mass: 228.29294
• Monoisotopic Mass: 228.13749653
• SMILES: c1c(ccc(c1)NN)Cc1ccc(cc1)NN
• Canonical SMILES: NNc1ccc(cc1)Cc1ccc(cc1)NN
• InChI: InChI=1S/C13H16N4/c14-16-12-5-1-10(2-6-12)9-11-3-7-13(17-15)8-4-11/h1-8,16-17H,9,14-15H2
• InChIKey: JMOLOPXLAKUDFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(4-hydrazinylphenyl)methyl]phenyl}hydrazine
• IUPAC Traditional name: {4-[(4-hydrazinylphenyl)methyl]phenyl}hydrazine
• Synonyms: 1,1'-(Methylenedi-p-phenylene)dihydrazine DiHydrochloride; 4,4'-Dihydrazinodiphenylmethane Hydrochloride; 1,1'-(Methylenedi-4,1-phenylene)bishydrazine Dihydrochloride

Database IDs

• CAS Number: 100829-65-0
• PubChem SID: 164229485
• PubChem CID: 3864540

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 2.3795607
• LogD (pH = 7.4): 2.8405306
• Log P: 2.848325
• Molar Refractivity: 75.2086 cm^3
• Polarizability: 26.833342 Å^3
• Polar Surface Area: 76.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO
• Apperance: Light Brown Solid
• Melting Point: 242-245°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - M303060

An intermediate in the preparation of Ondansetron impurities and organic polymers.