3-({2-[5-(dimethylamino)naphthalene-1-sulfonamido]ethyl}disulfanyl)propanehydrazide

• ChemBase编号: 165373
• 分子式: C17H24N4O3S3
• 平均质量: 428.59246
• 单一同位素质量: 428.10105365
• SMILES: c1ccc(c2c1c(ccc2)S(=O)(=O)NCCSSCCC(=O)NN)N(C)C
• Canonical SMILES: NNC(=O)CCSSCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
• InChI: InChI=1S/C17H24N4O3S3/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)27(23,24)19-10-12-26-25-11-9-17(22)20-18/h3-8,19H,9-12,18H2,1-2H3,(H,20,22)
• InChIKey: HQDKAFHASWURKG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-({2-[5-(dimethylamino)naphthalene-1-sulfonamido]ethyl}disulfanyl)propanehydrazide
• IUPAC传统名: 3-({2-[5-(dimethylamino)naphthalene-1-sulfonamido]ethyl}disulfanyl)propanehydrazide
• 别名: 2-(Dansylsulfonamido)ethyl-3-(hydrazinocarboxy)ethyl Disulfide

登记号

• CAS号: 887354-22-5
• PubChem SID: 162259506
• PubChem CID: 5220467

理论计算性质

• Acid pKa: 9.907589
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 1.3531288
• LogD (pH = 7.4): 1.4084715
• Log P: 1.4104317
• 摩尔折射率: 116.3147 cm^3
• 极化性: 45.939568 Å^3
• 极化表面积: 104.53 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - D181500

A fluroescent reagent for the quantification of aldehydres.