3-amino-7-(diethylamino)-5-phenyl-5λ5,10-phenazin-5-ylium chloride

• ChemBase编号: 104336
• 分子式: C22H23ClN4
• 平均质量: 378.89782
• 单一同位素质量: 378.16112444
• SMILES: [Cl-].CCN(CC)c1cc2[n+](c3ccccc3)c3cc(N)ccc3nc2cc1
• Canonical SMILES: CCN(c1ccc2c(c1)[n+](c1ccccc1)c1c(n2)ccc(c1)N)CC.[Cl-]
• InChI: InChI=1S/C22H22N4.ClH/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20;/h5-15,23H,3-4H2,1-2H3;1H
• InChIKey: MOVNSGGBTSIUGX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-amino-7-(diethylamino)-5-phenyl-5λ^5,10-phenazin-5-ylium chloride; 3-amino-7-(diethylamino)-5-phenyl-5$l^{5},10-phenazin-5-ylium chloride
• IUPAC传统名: 3-amino-7-(diethylamino)-5-phenyl-5λ^5,10-phenazin-5-ylium chloride; 3-amino-7-(diethylamino)-5-phenyl-5$l^{5},10-phenazin-5-ylium chloride
• 别名: 3-Amino-7-(diethylamino)-5-phenyl phenazinium chloride; 3-Amino-7-(diethylamino)-5-phenylphenazinium chloride; Methylene Violet 3RAX; C.I. 50206; 3-Amino-7-[diethylamino]-5-phenyl phenazium chloride; N,N-Diethylphenosafranine; METHYLENE VIOLET 3RAX

登记号

• CAS号: 4569-86-2
• MDL号: MFCD00013433
• PubChem SID: 162092761; 24858600
• PubChem CID: 2733867
• Color Index Number: 50206

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.4350569
• LogD (pH = 7.4): 1.4364041
• Log P: 1.4364214
• 摩尔折射率: 118.5341 cm^3
• 极化性: 43.89388 Å^3
• 极化表面积: 46.03 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 285 °C (dec.)(lit.); 285°C (decomposes)
• 紫外吸收波长: λmax 557 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: Dye Content ~90%
• 主要成分: Dye content, 90%
• Empirical Formula (Hill Notation): C22H23ClN4

详细说明

MP Biomedicals - 02155537

C.I. 50206 (3-Amino-7-[diethylamino]-5-phenyl phenazinium chloride) Dye content: ~ 90% For supravital staining of lymphocyte mitochondria.

Sigma Aldrich - 307505

包装
1, 5 g in glass bottle

参考文献

• Biochem. Biophys. Acta, 11: 980 (1953).