trimethyl(2H7)propylazanium chloride

• ChemBase编号: 179246
• 分子式: C6H16ClN
• 平均质量: 137.65094
• 单一同位素质量: 137.0971272
• SMILES: [N+](CCC)(C)(C)C.[Cl-]
• Canonical SMILES: CCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C6H16N.ClH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
• InChIKey: NRWCNEBHECBWRJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: trimethyl(^2H₇)propylazanium chloride
• IUPAC传统名: trimethyl(^2H₇)propylazanium chloride
• 别名: N,N,N-Trimethyl-1-propanaminium-d7 Chloride; PTAC-d7; Trimethylpropylammonium-d7 Chloride

登记号

• PubChem SID: 164235156
• PubChem CID: 71752834

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -3.0928369
• LogD (pH = 7.4): -3.0928369
• Log P: -3.0928369
• 摩尔折射率: 45.1743 cm^3
• 极化性: 13.265366 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - T796667

Labelled Trimethylpropylammonium Chloride (T796665). Trimethylpropylammonium chloride is an alkyltrimethylammonium ion which has effect on the thermostability of natural and modified DNA duplexes.

参考文献

• Shapiro, J., et al.: Biochemistry, 8, 3233 (1969)
• Bains, W., et al.: J. Theor. Biol., 135, 303 (1969)
• Fodor, S., et al.: Science, 251, 767 (1969)
• Person, A., et al.: J. Biol. Chem., 268, 3546 (1969)