4-{2-[6-(dioctylamino)naphthalen-2-yl]ethenyl}-1-(3-sulfonatopropyl)pyridin-1-ium

• ChemBase编号: 158625
• 分子式: C36H52N2O3S
• 平均质量: 592.87468
• 单一同位素质量: 592.36986453
• SMILES: CCCCCCCCN(CCCCCCCC)c1ccc2cc(ccc2c1)/C=C/c1cc[n+](cc1)CCCS(=O)(=O)[O-]
• Canonical SMILES: CCCCCCCCN(c1ccc2c(c1)ccc(c2)/C=C/c1cc[n+](cc1)CCCS(=O)(=O)[O-])CCCCCCCC
• InChI: InChI=1S/C36H52N2O3S/c1-3-5-7-9-11-13-25-38(26-14-12-10-8-6-4-2)36-21-20-34-30-33(18-19-35(34)31-36)17-16-32-22-27-37(28-23-32)24-15-29-42(39,40)41/h16-23,27-28,30-31H,3-15,24-26,29H2,1-2H3
• InChIKey: IXFSUSNUALIXLU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{2-[6-(dioctylamino)naphthalen-2-yl]ethenyl}-1-(3-sulfonatopropyl)pyridin-1-ium
• IUPAC传统名: 4-{2-[6-(dioctylamino)naphthalen-2-yl]ethenyl}-1-(3-sulfonatopropyl)pyridin-1-ium
• 别名: Di-8-ANEPPS; 4-(2-[6-(Dioctylamino)-2-naphthalenyl]ethenyl)-1-(3-sulfopropyl)pyridinium inner salt

登记号

• CAS号: 157134-53-7
• MDL号: MFCD03453608
• PubChem SID: 162252761
• PubChem CID: 6508718

理论计算性质

• Acid pKa: -1.5950716
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.6099362
• LogD (pH = 7.4): 4.333248
• Log P: 1.324843
• 摩尔折射率: 179.3753 cm^3
• 极化性: 71.04184 Å^3
• 极化表面积: 64.32 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO: soluble; ethanol: soluble
• 外观: orange to red solid

安全信息

• 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: 2-8°C

产品相关信息

• 纯度: ≥95% (HPLC)
• Mol. Weight: mol wt 592.88
• Empirical Formula (Hill Notation): C36H52N2O3S

详细说明

Sigma Aldrich - D1065

Biochem/physiol Actions
Fast-responding membrane potential dye.
Linkage
More suitable for long-term membrane potential studies than di-4-ANEPPS (Cat. No. D8064) because of better retention in the outer leaflet of plasma membranes.