bis(7-(dimethylamino)-N,N,1,9-tetramethyl-3H-phenothiazin-3-iminium) dichlorozinc dichloride

• ChemBase编号: 158737
• 分子式: C36H44Cl4N6S2Zn
• 平均质量: 832.09676
• 单一同位素质量: 828.11144016
• SMILES: Cc1cc(cc2c1nc1c(cc(=[N+](C)C)cc1s2)C)N(C)C.Cc1cc(cc2c1nc1c(cc(=[N+](C)C)cc1s2)C)N(C)C.[Cl-].[Cl-].Cl[Zn]Cl
• Canonical SMILES: CN(c1cc(C)c2c(c1)sc1c(n2)c(C)cc(=[N+](C)C)c1)C.CN(c1cc(C)c2c(c1)sc1c(n2)c(C)cc(=[N+](C)C)c1)C.Cl[Zn]Cl.[Cl-].[Cl-]
• InChI: InChI=1S/2C18H22N3S.4ClH.Zn/c2*1-11-7-13(20(3)4)9-15-17(11)19-18-12(2)8-14(21(5)6)10-16(18)22-15;;;;;/h2*7-10H,1-6H3;4*1H;/q2*+1;;;;;+2/p-4
• InChIKey: MKLBAKXCEQNMBC-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: bis(7-(dimethylamino)-N,N,1,9-tetramethyl-3H-phenothiazin-3-iminium) dichlorozinc dichloride
• IUPAC传统名: bis(7-(dimethylamino)-N,N,1,9-tetramethylphenothiazin-3-iminium) zinc chloride dichloride
• 别名: DMMB; Taylor’s Blue; 1,9-Dimethyl-Methylene Blue zinc chloride double salt

登记号

• CAS号: 931418-92-7
• MDL号: MFCD19686959
• PubChem SID: 162252873; 24860900
• PubChem CID: 71312674

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.28577662
• LogD (pH = 7.4): 0.2891531
• Log P: 0.2891963
• 摩尔折射率: 113.2793 cm^3
• 极化性: 36.34885 Å^3
• 极化表面积: 18.61 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 250 °C (dec.)(lit.)
• 紫外吸收波长: λmax 649 nm

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36
• 安全公开号: 26-37/39
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 主要成分: Dye content, 80%
• 杂质: <20% water
• Empirical Formula (Hill Notation): C18H22ClN3S · 0.5ZnCl2

详细说明

Sigma Aldrich - 341088

包装
1 g in glass bottle
Application
DMMB is a cationic dye that specifically binds to sulfated glycosaminoglycans (sGAG) with an absorbance at ~525 nm.1,2 It has been used to quantitate glycosaminoglyans such as chondroitin sulfate, keratin sulfate, and heparan sulfate and sGAG chains in proteoglycans.3,4 One limitation to this method The sGAG-DMMB complex is unstable in solution and may precipitate. Precipitation of the complex was shown to improve stability.5