3-ethenylphenyl N-ethyl-N-methylcarbamate

• ChemBase编号: 168698
• 分子式: C12H15NO2
• 平均质量: 205.253
• 单一同位素质量: 205.11027873
• SMILES: c1cc(cc(c1)C=C)OC(=O)N(CC)C
• Canonical SMILES: CCN(C(=O)Oc1cccc(c1)C=C)C
• InChI: InChI=1S/C12H15NO2/c1-4-10-7-6-8-11(9-10)15-12(14)13(3)5-2/h4,6-9H,1,5H2,2-3H3
• InChIKey: NARZULAZYYDYNA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-ethenylphenyl N-ethyl-N-methylcarbamate
• IUPAC传统名: 3-ethenylphenyl N-ethyl-N-methylcarbamate
• 别名: N-Ethyl-N-methyl-3-ethenylphenyl Carbamate; N-Ethyl-N-methyl-3-vinylphenyl Carbamate

登记号

• PubChem SID: 162262830
• PubChem CID: 71307771

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.7878234
• LogD (pH = 7.4): 2.7878234
• Log P: 2.7878234
• 摩尔折射率: 60.0954 cm^3
• 极化性: 23.085516 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - E925205

A related compound of Rivastigmine (R541000), a cholinesterase inhibitor.