4-{bis[4-(diethylamino)phenyl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chloride

• ChemBase编号: 104996
• 分子式: C31H42ClN3
• 平均质量: 492.13828
• 单一同位素质量: 491.30672604
• SMILES: [Cl-].CCN(CC)c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccc(cc1)N(CC)CC
• Canonical SMILES: CC[N+](=C1C=C/C(=C(\c2ccc(cc2)N(CC)CC)/c2ccc(cc2)N(CC)CC)/C=C1)CC.[Cl-]
• InChI: InChI=1S/C31H42N3.ClH/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;/h13-24H,7-12H2,1-6H3;1H/q+1;/p-1
• InChIKey: JVICFMRAVNKDOE-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 4-{bis[4-(diethylamino)phenyl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chloride
• IUPAC传统名: 4-{bis[4-(diethylamino)phenyl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chloride
• 别名: Ethyl Violet; C.I. 42600; Basic Violet 4; Ethyl purple 6B; ETHYL VIOLET

登记号

• CAS号: 2390-59-2
• EC号: 219-231-5
• MDL号: MFCD00011765
• Beilstein号: 4117566
• PubChem SID: 24845660; 24853715; 162092280
• PubChem CID: 16955
• Color Index Number: 42600

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.058147
• LogD (pH = 7.4): 3.5283227
• Log P: 3.5363588
• 摩尔折射率: 174.4955 cm^3
• 极化性: 56.951958 Å^3
• 极化表面积: 9.49 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble10 mg/mL, very deep purple
• 紫外吸收波长: λmax 595 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: KH2682000
• 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: ~80% (N); Dye Content ~80%
• 线性分子式: C31H42N3Cl

详细说明

MP Biomedicals - 02158016

Dye content: ~80%

Sigma Aldrich - 05025

Other Notes
General histological and pathological stain. Stain for neuroglia1; Detection of spirochaetes in blood2; Stains pancreatic tissue and elastin3; Reagent for the extractive-spectrophotometric determination of anionic surfactants4

Sigma Aldrich - 228842

包装
25 g in glass bottle
Application
Ethyl violet is a cationic triarylmethane dye that is the ethyl homolog of crystal violet. It is a general histological and pathological stain. Ethyl violet has been used to stain pancreatic tissue and elastin,1 in the detection of gram negative bacteria,2 and as a reagent for the extractive-spectrophotometric determination of anionic surfactants.3 Ethyl violet induces mitochondrial permeability.4 It has been used in the extraction and spectrophotometric determination of copper.5 Along with the anionic dye zincon, ethyl violet is used in counterion dye of proteins in SDS-polyacrylamide gel electrophoresis.6