9,10-Anthracenedione, 4-[[4-(1,1-dimethylethyl)phenyl]amino]-5-hydroxy-1-[(1-methylethyl)amino]- | 85011-89-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 9,10-Anthracenedione, 4-[[4-(1,1-dimethylethyl)phenyl]amino]-5-hydroxy-1-[(1-methylethyl)amino]-
• 英文别名: 4-(4-tert-butylanilino)-5-hydroxy-1-(propan-2-ylamino)anthracene-9,10-dione
• CAS: 85011-89-8
• 化学式: C₂₇H₂₈N₂O₃
• 分子量: 428.5
• InChiKey: ZATQBJUNCASQRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• INK COMPOSITION AND METHOD FOR PRODUCING THE SAME
  申请人：Sao Akihito

  公开号：US20110092624A1

  公开（公告）日：2011-04-21

  An ink composition contains C. I. Acid Blue 290 as a colorant and water. In the ink composition, C. I. Acid Blue 290 is contaminated with a by-product produced during the production of C. I. Acid Blue 290 and is represented by Formula (I) below, the by-product is represented by Formula (II) below, and the content of the by-product is 120 ppm or less: where R 1 to R 4 are independently an alkyl group which contains one or more carbon atoms, which may be branched, and which may have a phenyl substituent and R 6 is a methyl group, a hydroxyl group, or a proton.