tributyl[6-(tributylazaniumyl)hexyl]azanium dioxidanide

• ChemBase编号: 139215
• 分子式: C30H68N2O2
• 平均质量: 488.87312
• 单一同位素质量: 488.52807943
• SMILES: CCCC[N+](CCCC)(CCCC)CCCCCC[N+](CCCC)(CCCC)CCCC.[OH-].[OH-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCCCC[N+](CCCC)(CCCC)CCCC.[OH-].[OH-]
• InChI: InChI=1S/C30H66N2.2H2O/c1-7-13-23-31(24-14-8-2,25-15-9-3)29-21-19-20-22-30-32(26-16-10-4,27-17-11-5)28-18-12-6;;/h7-30H2,1-6H3;2*1H2/q+2;;/p-2
• InChIKey: ALYGOOWRCDZDTJ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: tributyl[6-(tributylazaniumyl)hexyl]azanium dioxidanide; tributyl[6-(tributylazaniumyl)hexyl]azanium dihydroxide
• IUPAC传统名: tributyl[6-(tributylammonio)hexyl]azanium dioxidanide; tributyl[6-(tributylammonio)hexyl]azanium dihydroxide
• 别名: N,N′-六亚甲基双(三丁基胺氢氧化物); 二氢氧化己烷-1,6-双(三正丁基铵) 溶液; 二氢氧化 己烷-1; N,N′-Hexamethylenebis(tributylammonium hydroxide); N,N,N,N′,N′,N′-Hexabutylhexamethylenediammonium dihydroxide solution; Bisquat dihydroxide; N,N,N,N',N',N'-Hexa-n-butylhexamethylenediammonium dihydroxide; Hexane-1,6-bis(tri-n-butylammonium) dihydroxide

登记号

• CAS号: 69762-88-5
• MDL号: MFCD00216633
• PubChem SID: 162233463; 24874164
• PubChem CID: 15376281

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.2939945
• LogD (pH = 7.4): 1.2939945
• Log P: 1.2939945
• 摩尔折射率: 171.788 cm^3
• 极化性: 59.031677 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 25
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Liquid

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3267; UN3267
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 34
• 安全公开号: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3267 8/PG 2

产品相关信息

• 纯度: 20% w/w aq. soln.
• 浓度: ~20% in H2O (T)
• 线性分子式: [-CH2CH2CH2N[(CH2)3CH3]3OH]2