phenylhydrazine; sulfuric acid

• ChemBase ID: 287436
• Molecular Formular: C6H10N2O4S
• Molecular Mass: 206.2196
• Monoisotopic Mass: 206.03612781
• SMILES: NNc1ccccc1.O=S(=O)(O)O
• Canonical SMILES: OS(=O)(=O)O.NNc1ccccc1
• InChI: InChI=1S/C6H8N2.H2O4S/c7-8-6-4-2-1-3-5-6;1-5(2,3)4/h1-5,8H,7H2;(H2,1,2,3,4)
• InChIKey: YUWVDIIHTJLPRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylhydrazine; sulfuric acid
• IUPAC Traditional name: phenylhydrazine; sulfuric acid
• Synonyms: Phenylhydrazine sulfate

Database IDs

• CAS Number: 52033-74-6
• MDL Number: MFCD00070608
• PubChem SID: 180672967
• PubChem CID: 6451410

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: 12.905999 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%