4-(N-(乙酰氧基乙基)-N-甲基氨基)-7-硝基-2,1,3-苯并恶二唑泛醌
[CAS# 119110-36-0]

基本信息

• 产品名称: 4-(N-(乙酰氧基乙基)-N-甲基氨基)-7-硝基-2,1,3-苯并恶二唑泛醌
• 英文名: 4-(N-(Acetoxyethyl)-N-Methylamino)-7-Nitro-2,1,3-Benzoxadiazole Ubiquinone
• 别名: 2-[Methyl-(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Ethyl 2-[5-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-Decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-Decaenyl]-4-Hydroxy-2,3-Dimethoxy-6-Methyl-Phenoxy]Acetate; 2-[5-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-Decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-Decaenyl]-4-Hydroxy-2,3-Dimethoxy-6-Methylphenoxy]Acetic Acid 2-[Methyl-(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Ethyl Ester; 2-[5-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-Decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-Decaenyl]-4-Hydroxy-2,3-Dimethoxy-6-Methyl-Phenoxy]Acetic Acid 2-[Methyl-(7-Nitrobenzofurazan-4-Yl)Amino]Ethyl Ester
• 分子式: C₇₀H₁₀₂N₄O₉
• 分子量: 1143.60
• CAS 登录号: 119110-36-0
• 分子行输入简码 SMILES: C3=C(N(CCOC(=O)COC1=C(OC)C(=C(O)C(=C1C)C\C=C(/CC\C=C(/CC\C=C(/CC\C=C(/CC\C=C(/CC\C=C(/CC\C=C(/CC\C=C(/CC\C=C(/CCC=C(C)C)C)C)C)C)C)C)C)C)C)OC)C)C2=NON=C2C(=C3)[N+]([O-])=O
• 国际化学标识码 InChI: 1S/C70H102N4O9/c1-50(2)25-16-26-51(3)27-17-28-52(4)29-18-30-53(5)31-19-32-54(6)33-20-34-55(7)35-21-36-56(8)37-22-38-57(9)39-23-40-58(10)41-24-42-59(11)43-44-61-60(12)68(70(80-15)69(79-14)67(61)76)82-49-64(75)81-48-47-73(13)62-45-46-63(74(77)78)66-65(62)71-83-72-66/h25,27,29,31,33,35,37,39,41,43,45-46,76H,16-24,26,28,30,32,34,36,38,40,42,44,47-49H2,1-15H3/b51-27-,52-29-,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-
• 国际化学标识检索码 InChIKey: OEUJSTITFXGWNB-TUBNFATKSA-N

物理化学性质

• 密度: 1.053g/cm³ （计算值）
• 沸点: 1032.793°C at 760 mmHg （计算值）
• 闪点: 578.413°C （计算值）