N,N'-[1,4-亚苯基二[亚甲基(乙基亚 氨基)(2-甲基-4,1-亚苯基)[[4-(二甲 氨基)苯基]次甲基]-2,5-环己二烯 -4,1-二亚基]]二[N-甲基-甲铵]二乙 酸盐
Methanaminium, N,Na(2)-[1,4-phenylenebis[methylene(ethylimino)(2-methyl-4,1-phenylene)[[4-(dimethylamino)phenyl]methylidyne]-2,5-cyclohexadiene-4,1-diylidene]]bis[N-methyl-, acetate (1:2) · CAS 70277-62-2
- 中文名
- N,N'-[1,4-亚苯基二[亚甲基(乙基亚 氨基)(2-甲基-4,1-亚苯基)[[4-(二甲 氨基)苯基]次甲基]-2,5-环己二烯 -4,1-二亚基]]二[N-甲基-甲铵]二乙 酸盐
- 中文别名
- 暂无
- 英文名
- Methanaminium, N,Na(2)-[1,4-phenylenebis[methylene(ethylimino)(2-methyl-4,1-phenylene)[[4-(dimethylamino)phenyl]methylidyne]-2,5-cyclohexadiene-4,1-diylidene]]bis[N-methyl-, acetate (1:2)
- CAS
- 70277-62-2
- CID
- 177843878
- IUPAC 名称
- [4-[[4-(dimethylamino)phenyl]-[4-[[4-[[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethyl-3-methylanilino]methyl]phenyl]methyl-ethylamino]-2-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium diacetate
名称与编号
- 中文名
- N,N'-[1,4-亚苯基二[亚甲基(乙基亚 氨基)(2-甲基-4,1-亚苯基)[[4-(二甲 氨基)苯基]次甲基]-2,5-环己二烯 -4,1-二亚基]]二[N-甲基-甲铵]二乙 酸盐
- 中文别名
- 暂无
- 英文名
- Methanaminium, N,Na(2)-[1,4-phenylenebis[methylene(ethylimino)(2-methyl-4,1-phenylene)[[4-(dimethylamino)phenyl]methylidyne]-2,5-cyclohexadiene-4,1-diylidene]]bis[N-methyl-, acetate (1:2)
- CAS
- 70277-62-2
- CID
- 177843878
- IUPAC 名称
- [4-[[4-(dimethylamino)phenyl]-[4-[[4-[[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N-ethyl-3-methylanilino]methyl]phenyl]methyl-ethylamino]-2-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium diacetate
分子属性
- 分子式
- C64H76N6O4
- 分子量
- 993.3 g/mol
- 精确质量
- 992.59280493 Da
- 单同位素质量
- 992.59280493 Da
- XLogP
- 暂无
- 极性表面积
- 99.2 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 14
- 重原子数
- 74
- 净电荷
- 0
- 结构复杂度
- 1620
结构标识
- InChIKey
- MECPHLPLMNCYGV-UHFFFAOYSA-L
- SMILES
- CCN(CC1=CC=C(C=C1)CN(CC)C2=CC(=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(C)C)C)C5=CC(=C(C=C5)C(=C6C=CC(=[N+](C)C)C=C6)C7=CC=C(C=C7)N(C)C)C.CC(=O)[O-].CC(=O)[O-]
- InChI
- InChI=1S/C60H70N6.2C2H4O2/c1-13-65(55-35-37-57(43(3)39-55)59(47-19-27-51(28-20-47)61(5)6)48-21-29-52(30-22-48)62(7)8)41-45-15-17-46(18-16-45)42-66(14-2)56-36-38-58(44(4)40-56)60(49-23-31-53(32-24-49)63(9)10)50-25-33-54(34-26-50)64(11)12;2*1-2(3)4/h15-40H,13-14,41-42H2,1-12H3;2*1H3,(H,3,4)/q+2;;/p-2