methylhydrazine; sulfuric acid

• ChemBase ID: 123290
• Molecular Formular: CH8N2O4S
• Molecular Mass: 144.15022
• Monoisotopic Mass: 144.02047775
• SMILES: S(=O)(=O)(O)O.N(N)C
• Canonical SMILES: OS(=O)(=O)O.CNN
• InChI: InChI=1S/CH6N2.H2O4S/c1-3-2;1-5(2,3)4/h3H,2H2,1H3;(H2,1,2,3,4)
• InChIKey: KJDJPXUIZYHXEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylhydrazine; sulfuric acid
• IUPAC Traditional name: methyl hydrazine; sulfuric acid
• Synonyms: methylhydrazine sulfate; MHS; Methylhydrazine Monosulfate; Methylhydrazinium Sulfate; NSC 3802; Methyl Hydrazine Sulfate

Database IDs

• CAS Number: 302-15-8
• PubChem SID: 162217643
• PubChem CID: 165286

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 13.7708 cm^3
• Polarizability: 6.279968 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Water
• Apperance: White to Off-White solid
• Melting Point: 141-143°C

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere

Product Information

• Salt Data: H2SO4

DETAILS

Toronto Research Chemicals - M312300

A substituted hydrazine used in the preparation of pyrazole-3-carboxamide derivatives as 5-HT2B receptor antagonists.

REFERENCES

• Evans, B., et al.: J. Med. Chem., 31, 2235 (1988)
• Schreiber, S., et al.: Bioorg. Med. Chem., 6, 1127 (1988)