[(2-chlorophenyl)methyl]hydrazine dihydrochloride

• ChemBase ID: 55765
• Molecular Formular: C7H11Cl3N2
• Molecular Mass: 229.53464
• Monoisotopic Mass: 227.9987814
• SMILES: c1ccc(c(c1)Cl)CNN.Cl.Cl
• Canonical SMILES: NNCc1ccccc1Cl.Cl.Cl
• InChI: InChI=1S/C7H9ClN2.2ClH/c8-7-4-2-1-3-6(7)5-10-9;;/h1-4,10H,5,9H2;2*1H
• InChIKey: PEGVOVHWHHZPSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chlorophenyl)methyl]hydrazine dihydrochloride
• IUPAC Traditional name: [(2-chlorophenyl)methyl]hydrazine dihydrochloride
• Synonyms: (2-Chlorobenzyl)hydrazine dihydrochloride

Database IDs

• CAS Number: 91809-14-2
• MDL Number: MFCD00025147
• PubChem SID: 162060528
• PubChem CID: 46786356

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.370021
• LogD (pH = 7.4): 1.5161817
• Log P: 1.5184035
• Molar Refractivity: 54.3131 cm^3
• Polarizability: 16.882166 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false