(2H3)methylhydrazine; sulfuric acid

• ChemBase ID: 173779
• Molecular Formular: CH8N2O4S
• Molecular Mass: 144.15022
• Monoisotopic Mass: 144.02047775
• SMILES: N(N)C.S(=O)(=O)(O)O
• 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: (^2H₃)methylhydrazine; sulfuric acid
• IUPAC Traditional name: (^2H₃)methylhydrazine; sulfuric acid
• Synonyms: MHS-d3; (Methyl-d3)hydrazine Monosulfate; (Methyl-d3)hydrazinium Sulfate; NSC 3802-d3; Methyl Hydrazine-d3 Sulfate

Database IDs

• CAS Number: 70609-01-7
• PubChem SID: 164229689
• PubChem CID: 13000177

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2539206
• LogD (pH = 7.4): -0.81974274
• Log P: -0.81011426
• Molar Refractivity: 24.8957 cm^3
• Polarizability: 5.4245915 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Water
• Apperance: White Solid
• Melting Point: 140-142°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - M312302

A labelled 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)