7-(dimethylamino)-3H-phenothiazin-3-one

• ChemBase编号: 104335
• 分子式: C14H12N2OS
• 平均质量: 256.32288
• 单一同位素质量: 256.06703401
• SMILES: CN(C)c1cc2c(cc1)nc1ccc(=O)cc1s2
• Canonical SMILES: O=c1ccc2c(c1)sc1c(n2)ccc(c1)N(C)C
• InChI: InChI=1S/C14H12N2OS/c1-16(2)9-3-5-11-13(7-9)18-14-8-10(17)4-6-12(14)15-11/h3-8H,1-2H3
• InChIKey: ALJHHTHBYJROOG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(dimethylamino)-3H-phenothiazin-3-one
• IUPAC传统名: 7-(dimethylamino)phenothiazin-3-one
• 别名: EOSIN METHYLENE VIOLET; METHYLENE VIOLET; Methylene Violet (Bernthsen)

登记号

• CAS号: 2516-05-4
• EC号: 219-733-4
• MDL号: MFCD00005064
• PubChem SID: 162091525; 24852949
• PubChem CID: 73024
• Color Index Number: 52041

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.6585658
• LogD (pH = 7.4): 2.6603305
• Log P: 2.6603532
• 摩尔折射率: 80.8156 cm^3
• 极化性: 28.093187 Å^3
• 极化表面积: 32.67 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

• 熔点: 216 °C (dec.)(lit.)
• 紫外吸收波长: λmax 580 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3

产品相关信息

• 纯度: Dye Content ~80%
• 级别: certified by the Biological Stain Commission
• 主要成分: Dye content, ≥65%
• Empirical Formula (Hill Notation): C14H12N2OS

详细说明

MP Biomedicals - 02155536

C.I. 52041 Dye content: ~ 80%

MP Biomedicals - 05210737

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 216313

包装
1, 10 g in glass bottle
Suitability
Certified for use as a constituent of MacNeal′s tetrachrome stain for blood.