[(4-fluorophenyl)methyl]hydrazine dihydrochloride

• ChemBase ID: 15555
• Molecular Formular: C7H11Cl2FN2
• Molecular Mass: 213.0800432
• Monoisotopic Mass: 212.02833194
• SMILES: c1cc(ccc1F)CNN.Cl.Cl
• Canonical SMILES: NNCc1ccc(cc1)F.Cl.Cl
• InChI: InChI=1S/C7H9FN2.2ClH/c8-7-3-1-6(2-4-7)5-10-9;;/h1-4,10H,5,9H2;2*1H
• InChIKey: AKDCRZFSODMAQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl]hydrazine dihydrochloride
• IUPAC Traditional name: [(4-fluorophenyl)methyl]hydrazine dihydrochloride
• Synonyms: (4-Fluorobenzyl)hydrazine dihydrochloride

Database IDs

• CAS Number: 1000805-93-5
• MDL Number: MFCD06800719
• PubChem SID: 160978862
• PubChem CID: 45074965

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8606999
• LogD (pH = 7.4): 1.0539452
• Log P: 1.0570607
• Molar Refractivity: 49.7247 cm^3
• Polarizability: 14.6723385 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