3,7-dihydropurine-2,6-dione

3,7-dihydropurine-2,6-dione structure
CAS番号69-89-6
EC/List番号200-718-6
分子式C5H4N4O2
分子量152.11 g/mol
融点>300 °C (dec.)
沸点Sublimes (dec.)
屈折率1.8500 (estimate)
SMILESO=c1[nH]c(=O)c2[nH]cnc2[nH]1
InChIKeyLRFVTYWOQMYALW-UHFFFAOYSA-N
製品説明Xanthine (3,7-dihydropurine-2,6-dione), the purine alkaloid parent core. The parent compound of caffeine, theophylline, and theobromine; an important bioactive scaffold.
用途Pharmaceutical intermediate; purine scaffold; alkaloid
危険物等級Skin Sens. 1; Eye Irrit. 2
危険有害性情報H317; H319
注意性情報P261; P264; P272; P280; P302+P352; P305+P351+P338; P321; P333+P313; P337+P313; P362+P364; P501

計算・予測物性

推定密度1.55 g/cm³ (予測値)