N,N,N-trimethyl-4-(6-phenylhexa-1,3,5-trien-1-yl)anilinium 4-methylbenzene-1-sulfonate

• ChemBase编号: 133060
• 分子式: C28H31NO3S
• 平均质量: 461.61564
• 单一同位素质量: 461.20246486
• SMILES: Cc1ccc(cc1)S(=O)(=O)[O-].C[N+](C)(C)c1ccc(cc1)/C=C/C=C/C=C/c1ccccc1
• Canonical SMILES: C[N+](c1ccc(cc1)/C=C/C=C/C=C/c1ccccc1)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-]
• InChI: InChI=1S/C21H24N.C7H8O3S/c1-22(2,3)21-17-15-20(16-18-21)14-8-5-4-7-11-19-12-9-6-10-13-19;1-6-2-4-7(5-3-6)11(8,9)10/h4-18H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b5-4+,11-7+,14-8+
• InChIKey: ZKARERKEBVSZCX-VMDDUYISSA-M

名称和登记号

名称

• IUPAC标准名: N,N,N-trimethyl-4-(6-phenylhexa-1,3,5-trien-1-yl)anilinium 4-methylbenzene-1-sulfonate; N,N,N-trimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trien-1-yl]anilinium 4-methylbenzene-1-sulfonate
• IUPAC传统名: N,N,N-trimethyl-4-(6-phenylhexa-1,3,5-trien-1-yl)anilinium tosylate; N,N,N-trimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trien-1-yl]anilinium tosylate
• 别名: 1,6-Diphenyl-1,3,5-hexatriene-4′-trimethylammonium tosylate; 1-(4-Trimethylammoniophenyl)-6-phenyl-1,3,5-hexatriene p-toluenesulfonate; 4′-(Trimethylammonio)diphenylhexatriene p-toluenesulfonate; TMA-DPH; N,N,N-Trimethyl-4-(6-phenyl-1,3,5-hexatrien-1-yl)phenylammonium p-toluenesulfonate

登记号

• CAS号: 115534-33-3
• MDL号: MFCD08705740
• PubChem SID: 24899913; 24866931; 162227337
• PubChem CID: 5706757

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.4272224
• LogD (pH = 7.4): 1.4272224
• Log P: 1.4272224
• 摩尔折射率: 111.7713 cm^3
• 极化性: 37.534184 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMF: soluble; DMSO: soluble; methanol: soluble
• 熔点: 237 °C (dec.)(lit.)
• 荧光: λex 355 nm; λem ~430 nm in methanol

安全信息

• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: -; 3
• 危险公开号: 61
• 安全公开号: 53-45
• 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: ≥95%; ≥96.0% (TLC)
• 适用性: suitable for fluorescence
• 产品线: BioReagent
• 线性分子式: C21H24N · C7H7O3S

详细说明

Sigma Aldrich - T0775

Biochem/physiol Actions
Lipid marker for endocytosis.

Sigma Aldrich - 43060

Other Notes
Probe for membrane fluidity1