5-{[2-(2-iodoacetamido)ethyl]amino}naphthalene-1-sulfonic acid

• ChemBase编号: 104187
• 分子式: C14H15IN2O4S
• 平均质量: 434.24937
• 单一同位素质量: 433.97972597
• SMILES: OS(=O)(=O)c1c2cccc(NCCNC(=O)CI)c2ccc1
• Canonical SMILES: ICC(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O
• InChI: InChI=1S/C14H15IN2O4S/c15-9-14(18)17-8-7-16-12-5-1-4-11-10(12)3-2-6-13(11)22(19,20)21/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21)
• InChIKey: ZMERMCRYYFRELX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-{[2-(2-iodoacetamido)ethyl]amino}naphthalene-1-sulfonic acid
• IUPAC传统名: iaedans
• 别名: N-碘乙酰基-N′-(5-磺基-1-萘基)乙二胺; Hudson-Weber 试剂; N-碘乙酰-N'-(5-磺基-1-萘)乙二胺; 5-[2-(碘乙酰氨基)乙氨基]萘-1-磺酸; N-(Iodoacetaminoethyl)-1-naphthylamine-5-sulfonic acid; 1,5-I-AEDANS; N-Iodoacetyl-N'-(5-sulfo-1-naphthyl)ethylenediamine; N-Iodoacetylaminoethyl-5-naphthylamine-1-sulfonic Acid; NSC 328384; N-(Iodoacetylaminoethyl)-5-Naphthylamine-1-Sulfonic Acid; 1,5-l-AEDANS; N-IODOACETYL-N'-(5-SULFO-1-NAPHTHYL)-ETHYLENEDIAMINE; IAEDANS; 5-[2-(Iodoacetamido)ethylamino]naphthalene-1-sulfonic acid; N-Iodoacetyl-N′-(5-sulfo-1-naphthyl)ethylenediamine; Hudson-Weber-Reagent

登记号

• CAS号: 36930-63-9
• EC号: 253-277-7
• MDL号: MFCD00003993
• Beilstein号: 3004454
• PubChem SID: 162091423
• PubChem CID: 91621
• CHEBI ID: 58984
• Chemspider ID: 82727
• 维基百科标题: IAEDANS

理论计算性质

• Acid pKa: -1.6419271
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -0.4293063
• LogD (pH = 7.4): -0.78533983
• Log P: 1.0494623
• 摩尔折射率: 93.8019 cm^3
• 极化性: 37.155163 Å^3
• 极化表面积: 95.5 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO
• 外观: yellow crystalline; Yellow Orange Solid
• 熔点: >180°C (dec.)

安全信息

• 保存条件: 0°C, Desiccate, Protect from light; Refrigerator
• 保存注意事项: Sensitive to Light
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 线性分子式: ICH2CONHCH2CH2NHC10H6SO3H

详细说明

MP Biomedicals - 02155050

(1,5-l-AEDANS) Yellow crystals.

Sigma Aldrich - 858617

Application
适用于巯基的测定

Toronto Research Chemicals - I685600

A fluorescent sulfhydryl reagent which is sensitive to photo catalyzed degradation in both aqueous solution and organic solvents. It readily reacts with both thiol compounds and sulfhydryl groups to provide photo stable covalent derivatives.Fluorescence:

参考文献

• Hudson, E.N. and Weber, G.: Biochem, 12(21)
• 4154-4161 (1973)