5-(dimethylamino)-N-[2-(trimethylazaniumyl)ethyl]naphthalene-1-sulfonamide perchlorate

• ChemBase编号: 102890
• 分子式: C17H26ClN3O6S
• 平均质量: 435.92284
• 单一同位素质量: 435.12308425
• SMILES: CN(C)c1cccc2c1cccc2S(=O)(=O)NCC[N+](C)(C)C.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.CN(c1cccc2c1cccc2S(=O)(=O)NCC[N+](C)(C)C)C
• InChI: InChI=1S/C17H26N3O2S.ClHO4/c1-19(2)16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)18-12-13-20(3,4)5;2-1(3,4)5/h6-11,18H,12-13H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: JALGRPFYCOBGHM-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 5-(dimethylamino)-N-[2-(trimethylazaniumyl)ethyl]naphthalene-1-sulfonamide perchlorate
• IUPAC传统名: 5-(dimethylamino)-N-[2-(trimethylaminio)ethyl]naphthalene-1-sulfonamide perchlorate ion; 5-(dimethylamino)-N-[2-(trimethylammonio)ethyl]naphthalene-1-sulfonamide perchlorate
• 别名: (5-二甲基氨基萘-1-磺酰胺基乙基)三甲基高氯酸铵; (丹磺酰氨乙基)三甲基高氯酸铵; (Dansylaminoethyl)-tri-methyl-ammonium perchlorate; (1-DIMETHYLAMINONAPHTHALENE-5-SULFONAMIDOETHYL)-TRIMETHYLAMMONIUM PERCHLORATE; DASP; (Dansylaminoethyl)-tri-methyl-ammonium perchlorate

登记号

• CAS号: 33423-98-2
• MDL号: MFCD00038732
• PubChem SID: 162088302
• PubChem CID: 193695

理论计算性质

• Acid pKa: 9.893623
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.2954178
• LogD (pH = 7.4): -2.0807776
• Log P: -2.243219
• 摩尔折射率: 107.9241 cm^3
• 极化性: 38.606777 Å^3
• 极化表面积: 49.41 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

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
• 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-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: -20°C

详细说明

MP Biomedicals - 02104997

Crystalline
Fluorescent probe for receptor proteolipid from the electric organ of Electrophorus electricus.

Sigma Aldrich - D2762

Application
荧光探针，用于电鳗发电器官中的受体蛋白脂质。

• Used as a guest for multivalent macrocyclic hosts in histone surface recognition1
• Dye for fluorescence spectroscopy2

参考文献

• Mol. Pharmacol., 7: 530 (1971).