3-amino-7-(methylamino)-5$l^{4},10-phenothiazin-5-ylium chloride

• ChemBase编号: 103042
• 分子式: C13H12ClN3S
• 平均质量: 277.77248
• 单一同位素质量: 277.04404608
• SMILES: [Cl-].CNc1cc2c(cc1)nc1ccc(N)cc1[s+]2
• Canonical SMILES: CNc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.[Cl-]
• InChI: InChI=1S/C13H12N3S.ClH/c1-15-9-3-5-11-13(7-9)17-12-6-8(14)2-4-10(12)16-11;/h2-7,15H,14H2,1H3;1H/q+1;/p-1
• InChIKey: OBKVLZKRUVYQNQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 3-amino-7-(methylamino)-5$l^{4},10-phenothiazin-5-ylium chloride; 3-amino-7-(methylamino)-5λ^4,10-phenothiazin-5-ylium chloride
• IUPAC传统名: 3-amino-7-(methylamino)-5$l^{4},10-phenothiazin-5-ylium chloride; 3-amino-7-(methylamino)-5λ^4,10-phenothiazin-5-ylium chloride
• 别名: Monomethylthionine; N-Methylthionine; AZURE C CHLORIDE SALT; Azure C

登记号

• CAS号: 531-57-7
• EC号: 208-512-8
• MDL号: MFCD00067677
• Beilstein号: 4060661
• PubChem SID: 24854540; 162090302; 24847294
• PubChem CID: 68277

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.050686
• LogD (pH = 7.4): 1.0411907
• Log P: 1.0410681
• 摩尔折射率: 73.0129 cm^3
• 极化性: 29.01072 Å^3
• 极化表面积: 50.94 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 紫外吸收波长: λmax 616 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: SP5680000
• 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 ~40%
• 级别: for microbiology
• 主要成分: Dye content, 40%
• Empirical Formula (Hill Notation): C13H12ClN3S

详细说明

MP Biomedicals - 02150418

C.I. 52002
Dye Content: ~ 40%
Biological stain
Note: Most other dealers offer this material with a dye content of only 50-60%. We believe our dye content of 70% is the highest commercial preparation available.

Sigma Aldrich - 242187

Application
Biological stain
包装
5, 25 g in glass bottle