(2H5)phenylhydrazine

• ChemBase ID: 176586
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: c1cccc(c1)NN
• Canonical SMILES: NNc1ccccc1
• InChI: InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
• InChIKey: HKOOXMFOFWEVGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)phenylhydrazine
• IUPAC Traditional name: (^2H₅)phenylhydrazine
• Synonyms: Phenyl-d5-hydrazine Monohydrochloride; Phenylhydrazine-d5 Hydrochloride

Database IDs

• CAS Number: 125687-18-5
• PubChem SID: 164232496
• PubChem CID: 12998543

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1338776
• LogD (pH = 7.4): 1.3610642
• Log P: 1.3648884
• Molar Refractivity: 35.7647 cm^3
• Polarizability: 12.928225 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - P335082

A labelled hydrazine derivative. Used in the synthesis of Verdazyl.

REFERENCES

• Hall, R.A., et al.: Eur. J. Pharm., 135, 193 (1987)