4-{2-[4-(diethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium iodide

• ChemBase编号: 112260
• 分子式: C18H23IN2
• 平均质量: 394.29309
• 单一同位素质量: 394.09059675
• SMILES: [I-].CCN(CC)c1ccc(cc1)/C=C/c1cc[n+](C)cc1
• Canonical SMILES: CCN(c1ccc(cc1)/C=C/c1cc[n+](cc1)C)CC.[I-]
• InChI: InChI=1S/C18H23N2.HI/c1-4-20(5-2)18-10-8-16(9-11-18)6-7-17-12-14-19(3)15-13-17;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1
• InChIKey: WIPKWLIHFGTFQV-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 4-{2-[4-(diethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium iodide; 4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium iodide
• IUPAC传统名: 4-{2-[4-(diethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium iodide; 4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium iodide
• 别名: 4-(4-二乙氨基苯乙烯基)-1-甲基碘化吡啶; 4-P-(DIETHYLAMINO STYRYL)PYRIDYL ETHYL IODIDE; 4-Di-2-ASP; 4-(4-Diethylaminostyryl)-1-methylpyridinium iodide

登记号

• CAS号: 105802-46-8
• MDL号: MFCD00031908
• Beilstein号: 6101936
• PubChem SID: 162098215; 24893756
• PubChem CID: 5706737

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.40595
• LogD (pH = 7.4): -0.03387431
• Log P: -0.026294168
• 摩尔折射率: 89.4371 cm^3
• 极化性: 33.207172 Å^3
• 极化表面积: 7.12 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: chloroform: soluble; DMF: soluble; DMSO: soluble
• 熔点: 214-216 °C(lit.)
• 荧光: λex 485 nm; λem 603 nm in methanol; λex 485 nm; λem 607 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
• 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

产品相关信息

• 纯度: ≥97%; ≥97.0% (TLC)
• 级别: for fluorescence
• Empirical Formula (Hill Notation): C18H23IN2

详细说明

MP Biomedicals - 05223189

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D3418

包装
500 mg in glass bottle
Application
Reactant or reagent involved in:
• Two-photon absorption of organic / polyoxometalate hybrid dyes1
• Acting as an acceptor for the 1D light-harvesting antenna2
• Functional live cell fluorescence imaging for pulmonary neuroepithelial body microenvironments3
• Studies of solvatochromism and dipole moments of monochromophoric styrylpyridinium dyes4

Sigma Aldrich - 36806

Other Notes
活性神经末梢染色的荧光探针5
Application
Reactant or reagent involved in:
• Two-photon absorption of organic / polyoxometalate hybrid dyes1
• Acting as an acceptor for the 1D light-harvesting antenna2
• Functional live cell fluorescence imaging for pulmonary neuroepithelial body microenvironments3
• Studies of solvatochromism and dipole moments of monochromophoric styrylpyridinium dyes4