N-(Purin-6-Yl)-alpha-Toluenesulfonamide
[CAS# 82499-19-2]

Identification

• Name: N-(Purin-6-Yl)-alpha-Toluenesulfonamide
• Synonyms: N-(Benzyl)-7H-Purine-6-Sulfonamide; 1H-Purine-6-Sulfonamide, N-(Phenylmethyl)-; N-(Purin-6-Yl)-Alpha-Toluenesulfonamide
• Molecular Formula: C₁₂H₁₁N₅O₂S
• Molecular Weight: 289.31
• CAS Registry Number: 82499-19-2
• SMILES: C3=NC1=C(C(=NC=N1)[S](NCC2=CC=CC=C2)(=O)=O)[NH]3
• InChI: 1S/C12H11N5O2S/c18-20(19,17-6-9-4-2-1-3-5-9)12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8,17H,6H2,(H,13,14,15,16)
• InChIKey: VUSACXIAOWKUCM-UHFFFAOYSA-N

Properties

• Density: 1.5g/cm³ (Cal.)
• Boiling point: 627.18°C at 760 mmHg (Cal.)
• Flash point: 333.107°C (Cal.)