N,N-bis(2H5)ethyl-3-methylbenzamide

• ChemBase编号: 165552
• 分子式: C12H17NO
• 平均质量: 191.26948
• 单一同位素质量: 191.13101417
• SMILES: c1(cccc(c1)C(=O)N(CC)CC)C
• Canonical SMILES: CCN(C(=O)c1cccc(c1)C)CC
• InChI: InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
• InChIKey: MMOXZBCLCQITDF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-bis(^2H₅)ethyl-3-methylbenzamide
• IUPAC传统名: N,N-bis(^2H₅)ethyl-3-methylbenzamide
• 别名: N,N-(Diethyl-d10)-3-methylbenzamide; 3-Methyl-N,N-(diethyl-d10)benzamide; N,N-(Diethyl-d10)-m-toluamide; M-Det-d10; m-DETA-d10; m-Delphene-d10; ENT 22542-d10; Dieltamid-d10; Flypel-d10; Metadelphene-d10; DEET-d10

登记号

• CAS号: 1215576-01-4
• PubChem SID: 162259685
• PubChem CID: 46780574

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.4982743
• LogD (pH = 7.4): 2.4982755
• Log P: 2.4982755
• 摩尔折射率: 59.4682 cm^3
• 极化性: 22.294847 Å^3
• 极化表面积: 20.31 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Pale Yellow Oil

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - D228502

Insect repellent.

参考文献

• Gilbert, I.H., et al.: J. Econ. Entomol., 48, 741 (1955)
• Ambrose, A.M., et al.: Toxicol. Appl. Pharmacol., 1, 97 (1955)
• Blomquist, L., Acta Pharmacol. Toxicol., 41, 235 (1955)
• Yeung, J.M., et al.: Drug Metab. Dispos., 16, 600 (1955)