(cyclopropylmethyl)trimethylazanium iodide

• ChemBase编号: 109017
• 分子式: C7H16IN
• 平均质量: 241.11311
• 单一同位素质量: 241.03274752
• SMILES: [I-].C[N+](C)(C)CC1CC1
• Canonical SMILES: C[N+](CC1CC1)(C)C.[I-]
• InChI: InChI=1S/C7H16N.HI/c1-8(2,3)6-7-4-5-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1
• InChIKey: BEJANMZWXMSYMW-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (cyclopropylmethyl)trimethylazanium iodide
• IUPAC传统名: (cyclopropylmethyl)trimethylazanium iodide
• 别名: CYCLOPROPYLMETHYLTRIMETHYLAMMONIUM IODIDE

登记号

• CAS号: 73664-02-5
• PubChem SID: 162094648
• PubChem CID: 52009

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -3.1915898
• LogD (pH = 7.4): -3.1915898
• Log P: -3.1915898
• 摩尔折射率: 47.8437 cm^3
• 极化性: 14.371663 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

MP Biomedicals - 05209541

MP Biomedicals Rare Chemical collection