1-methyl-4-phenylpyridin-1-ium iodide

• ChemBase编号: 155469
• 分子式: C12H12IN
• 平均质量: 297.13485
• 单一同位素质量: 297.00144739
• SMILES: C[n+]1ccc(cc1)c1ccccc1.[I-]
• Canonical SMILES: C[n+]1ccc(cc1)c1ccccc1.[I-]
• InChI: InChI=1S/C12H12N.HI/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1
• InChIKey: RFDFRDXIIKROAI-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 1-methyl-4-phenylpyridin-1-ium iodide
• IUPAC传统名: 1 methyl 4 phenylpyridinium iodide
• 别名: MPP+ Iodide; N-Methyl-4-phenylpyridinium Iodide; 1-Methyl-4-phenylpyridinium iodide; MPP+ iodide

登记号

• CAS号: 36913-39-0
• MDL号: MFCD00055096
• PubChem SID: 162249607; 24893235
• PubChem CID: 10924457

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -1.5405697
• LogD (pH = 7.4): -1.5405697
• Log P: -1.5405697
• 摩尔折射率: 55.1927 cm^3
• 极化性: 22.550613 Å^3
• 极化表面积: 3.88 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble >10 mg/mL
• 外观: , tan to yellow solid

安全信息

• 保存条件: desiccated
• RTECS编号: UU6580000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 23/24/25-25-36/37/38
• 安全公开号: 26-36-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301 + H311 + H331-H315-H319-H335
• GHS警示性声明: P261-P280-P301 + P310-P305 + P351 + P338-P311
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C12H12IN

详细说明

Sigma Aldrich - D048

Biochem/physiol Actions
MPP+ iodide is an active metabolite of dopaminergic neurotoxin MPTP.
Caution
Photosensitive.
Preparation Note
Solutions should be freshly prepared.

Toronto Research Chemicals - M326285

Dopaminergic neurotoxin; a selective cytostatic agent in small-cell lung cancer cell lines with neuroendocrine properties.

参考文献

• Marini, A.M. et al.: J, Nat. Cancer Inst., 84, 1582 (1992)
• Singh, M. et al.: Arch. Biochem. Biophys., 286, 138 (1992)
• Santiago, M. et al.: J. Neurosci. Meth., 108, 181 (1992)