zinc(2+) ion 4-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-N-ethyl-N,N-dimethylanilinium tetrachloride

• ChemBase编号: 106682
• 分子式: C27H35Cl4N3Zn
• 平均质量: 608.7789
• 单一同位素质量: 605.08765086
• SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Zn+2].CC[N+](C)(C)c1ccc(cc1)/C(=C/1\C=CC(=[N+](C)C)C=C1)/c1ccc(cc1)N(C)C
• Canonical SMILES: CC[N+](c1ccc(cc1)/C(=C/1\C=CC(=[N+](C)C)C=C1)/c1ccc(cc1)N(C)C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
• InChI: InChI=1S/C27H35N3.4ClH.Zn/c1-8-30(6,7)26-19-13-23(14-20-26)27(21-9-15-24(16-10-21)28(2)3)22-11-17-25(18-12-22)29(4)5;;;;;/h9-20H,8H2,1-7H3;4*1H;/q+2;;;;;+2/p-4
• InChIKey: ZKOGXCSOLMZRAZ-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: zinc(2+) ion 4-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-N-ethyl-N,N-dimethylanilinium tetrachloride
• IUPAC传统名: zinc, ion (zn2+) 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-N-ethyl-N,N-dimethylanilinium tetrachloride
• 别名: CI 42590; 4-[[4-(Dimethylamino) phenyl][4-(dimethyliminio) cyclohexa-2,5-dien-1-ylidene] methyl]-N-ethyl-N,N-bromide chloride, compound with zinc chloride; METHYL GREEN

登记号

• CAS号: 7114-03-6
• EC号: 230-415-4
• PubChem SID: 162093019
• PubChem CID: 44134822

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -2.3387468
• LogD (pH = 7.4): -2.2965856
• Log P: -2.2960205
• 摩尔折射率: 165.9452 cm^3
• 极化性: 49.86273 Å^3
• 极化表面积: 6.25 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 04806408

C.I. 42590
DNA stain useful as a tracking dye in acid buffers. Also able to track native DNA in some neutral systems.

MP Biomedicals - 04806404

C.I. 42590
DNA stain useful as a tracking dye in acid buffers. Also able to track native DNA in some neutral systems.