10-(3-carboxypropyl)-6-(dimethylamino)-N,N-dimethyl-3,10-dihydroacridin-3-iminium perchlorate

• ChemBase编号: 154605
• 分子式: C21H26ClN3O6
• 平均质量: 451.90064
• 单一同位素质量: 451.15101325
• SMILES: CN(C)c1ccc2cc3ccc(=[N+](C)C)cc3n(c2c1)CCCC(=O)O.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.OC(=O)CCCn1c2cc(ccc2cc2c1cc(=[N+](C)C)cc2)N(C)C
• InChI: InChI=1S/C21H25N3O2.ClHO4/c1-22(2)17-9-7-15-12-16-8-10-18(23(3)4)14-20(16)24(19(15)13-17)11-5-6-21(25)26;2-1(3,4)5/h7-10,12-14H,5-6,11H2,1-4H3;(H,2,3,4,5)
• InChIKey: KCYUESOHZRSRGP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 10-(3-carboxypropyl)-6-(dimethylamino)-N,N-dimethyl-3,10-dihydroacridin-3-iminium perchlorate
• IUPAC传统名: 10-(3-carboxypropyl)-6-(dimethylamino)-N,N-dimethylacridin-3-iminium perchlorate
• 别名: Atto 495

登记号

• MDL号: MFCD07370099
• PubChem SID: 162248743
• PubChem CID: 16212629

理论计算性质

• Acid pKa: 4.2379174
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.4995612
• LogD (pH = 7.4): -0.18063357
• Log P: -1.0289645
• 摩尔折射率: 121.6212 cm^3
• 极化性: 39.64209 Å^3
• 极化表面积: 46.79 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: acetone: soluble; DMF: soluble; DMSO: soluble; H2O: soluble
• 荧光: λex 499 nm; λem 535 nm in 0.1 M phosphate pH 7.0

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: -20°C

产品相关信息

• 纯度: ≥98.0% (HPCE)
• 适用性: suitable for fluorescence
• 产品线: BioReagent

详细说明

Sigma Aldrich - 16951

General description
Atto 495 is a new label for proteins and oligo-nucleotides with high molecular absorption (80.000) and quantum yield (0.45) as well as sufficient Stoke′s shift between excitation and emission maximum. Atto 495 is characterized by a high photostability and thermostability. It is slightly hydrophilic, and solubility in polar solvents as DMF or DMSO is high.
Application
Atto 495 is a lipophilic fluorescent compound, which has served as the neutral analyte in the model, along with SDS as the charged micelle acting as a carrier to transport this solute in an electric field1,2. Atto 495 was included as fluorescence EOF marker for chip electrophoresis. This reagent is zwitterionic at pH 8.3 and thus migrates as a neutral substance under the proper conditions3,4.