5-[bis(2H3)methylamino]naphthalene-1-sulfonyl chloride

• ChemBase编号: 165370
• 分子式: C12H12ClNO2S
• 平均质量: 269.74718
• 单一同位素质量: 269.02772731
• SMILES: c1ccc2c(c1S(=O)(=O)Cl)cccc2N(C)C
• Canonical SMILES: CN(c1cccc2c1cccc2S(=O)(=O)Cl)C
• InChI: InChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3
• InChIKey: XPDXVDYUQZHFPV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-[bis(^2H₃)methylamino]naphthalene-1-sulfonyl chloride
• IUPAC传统名: 5-[bis(^2H₃)methylamino]naphthalene-1-sulfonyl chloride
• 别名: 5-(Dimethylamino-d6)-1-naphthalenesulfonyl Chloride; 1-(Dimethylamino-d6)-5-naphthalenesulfonyl Chloride; DNS Chloride-d6; DNS-Cl-d6; NSC 83616-d6; Dansyl Chloride-d6

登记号

• PubChem SID: 162259503
• PubChem CID: 71315170

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.9664218
• LogD (pH = 7.4): 3.0163937
• Log P: 3.0170696
• 摩尔折射率: 71.131 cm^3
• 极化性: 28.667818 Å^3
• 极化表面积: 37.38 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform
• 外观: Orange Solid
• 熔点: 63-65°C

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - D177502

Labelled Dansyl Chloride (D177500). Reagent for fluorescent labelling of amines, amino acids and proteins.

参考文献

• Weber, G., et al.: Biochem. J., et al.: 51, 155 (1952)
• Kinoshita, T., et al.: Anal. Biochem., 66,104 (1952)
• Marks, R., et al.: Br. J. Dermatol., 111, 265 (1952)