sodium 6-[(4-methylphenyl)amino]naphthalene-2-sulfonate

• ChemBase编号: 134192
• 分子式: C17H14NNaO3S
• 平均质量: 335.35273
• 单一同位素质量: 335.05920859
• SMILES: Cc1ccc(cc1)Nc1ccc2cc(ccc2c1)S(=O)(=O)[O-].[Na+]
• Canonical SMILES: Cc1ccc(cc1)Nc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C17H15NO3S.Na/c1-12-2-6-15(7-3-12)18-16-8-4-14-11-17(22(19,20)21)9-5-13(14)10-16;/h2-11,18H,1H3,(H,19,20,21);/q;+1/p-1
• InChIKey: QZZGQOXRGFDEJP-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 6-[(4-methylphenyl)amino]naphthalene-2-sulfonate
• IUPAC传统名: sodium 6-[(4-methylphenyl)amino]naphthalene-2-sulfonate
• 别名: 6-(对甲苯胺基)-2-萘磺酸钠; 6-对甲苯胺基萘磺酸 钠盐; Sodium 6-(p-toluidino)-2-naphthalenesulfonate; TNS; 6-(p-Toluidino)-2-naphthalenesulfonic acid sodium salt; 2,6-TNS; 6-(p-Toluidino)-2-naphthalenesulfonic acid

登记号

• CAS号: 7724-15-4; 53313-85-2
• EC号: 231-769-2
• MDL号: MFCD00171528
• Beilstein号: 2060070; 6836595
• PubChem SID: 24900604; 24889247; 162228469
• PubChem CID: 23681042

理论计算性质

• Acid pKa: -1.8372462
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.7206607
• LogD (pH = 7.4): 1.7205787
• Log P: 2.5656726
• 摩尔折射率: 85.5364 cm^3
• 极化性: 34.80935 Å^3
• 极化表面积: 69.23 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 荧光: λex 318 nm; λem 443 nm in methanol

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (HPLC); ≥99.0% (HPLC); 99%
• 级别: for fluorescence
• Empirical Formula (Hill Notation): C17H14NNaO3S; C17H15NO3S

详细说明

Sigma Aldrich - T9792

Application
Fluorescent probe for the conformational state of proteins.

Sigma Aldrich - 409103

Application
适于用作荧光探针

Sigma Aldrich - 89656

Application
Fluorescent probe for the conformational state of proteins.

Sigma Aldrich - 89653

Other Notes
Fluorescent probe for protein conformation studies1