{[bis(2H9)butylamino]disulfanyl}bis(2H9)butylamine

• ChemBase编号: 162263
• 分子式: C16H36N2S2
• 平均质量: 320.60044
• 单一同位素质量: 320.23199116
• SMILES: N(CCCC)(CCCC)SSN(CCCC)CCCC
• Canonical SMILES: CCCCN(SSN(CCCC)CCCC)CCCC
• InChI: InChI=1S/C16H36N2S2/c1-5-9-13-17(14-10-6-2)19-20-18(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
• InChIKey: PAJQNXUWYZXFIX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[bis(^2H₉)butylamino]disulfanyl}bis(^2H₉)butylamine
• IUPAC传统名: {[bis(^2H₉)butylamino]disulfanyl}bis(^2H₉)butylamine
• 别名: N,N’-Dithiobis[N-butyl]-1-butanamine-d36; N,N’-Dithiobis-dibutylamine-d36; Bis(N,N-dibutylamine)-N,N'-disulfide-d36

登记号

• PubChem SID: 162256398
• PubChem CID: 46780830

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.7623596
• LogD (pH = 7.4): 5.7818885
• Log P: 5.782143
• 摩尔折射率: 94.7928 cm^3
• 极化性: 39.42794 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate; Hexane; Methanol
• 外观: Orange Oil

详细说明

Toronto Research Chemicals - B426162

reagent used in the preparation of pesticides and synthetic polymers

参考文献

• Umetsu, N., et al.: J. Agric. Food Chem., 29, 711 (1981)