4-Amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide
[CAS# 73068-02-7]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Ion chromatography reagent
• Name: 4-Amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide
• Synonyms: [(4-Aminophenyl)sulfonyl](2,6-dimethoxypyrimidin-4-yl)amine; 2,4-dimethoxy-6-sulfanilamido-1,3-diazine; 2,4-Dimethoxy-6-sulfanilamido-1,3-pyrimidine
• Molecular Formula: C₁₂H₁₄N₄O₄S
• Molecular Weight: 310.33
• CAS Registry Number: 73068-02-7
• SMILES: COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC
• InChI: 1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
• InChIKey: ZZORFUFYDOWNEF-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 200°C (Expl.)
• Boiling point: 548.5±60.0°C at 760 mmHg (Cal.)
• Flash point: 285.5±32.9°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493