(4,4-diethoxybutyl)dimethylamine

• ChemBase编号: 142100
• 分子式: C10H23NO2
• 平均质量: 189.29512
• 单一同位素质量: 189.17287898
• SMILES: CCOC(CCCN(C)C)OCC
• Canonical SMILES: CCOC(OCC)CCCN(C)C
• InChI: InChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3
• InChIKey: QKXMWBLNSPNBEY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4,4-diethoxybutyl)dimethylamine
• IUPAC传统名: (4,4-diethoxybutyl)dimethylamine
• 别名: 4-N,N-二甲胺基丁醛缩二乙醇; 4,4-二乙氧基-N,N-二甲基-丁胺; 4-二甲氨基丁醛二乙基缩醛; 4,4-Diethoxy-N,N-dimethyl-1-butanamine; 1-(N,N-Dimethylamino)-4,4-diethoxybutane; 4,4-Diethoxy-N,N-dimethylbutanamine; 4,4-Diethoxy-N,N-dimethylbutylamine; 4-Dimethylaminobutanal diethyl acetal; N,N-Dimethyl-4-aminobutanal diethyl acetal; 4,4-Diethoxy-N,N-dimethyl-1-butanamine; (4,4-Diethoxy-butyl)-dimethyl-amine; 4,4-Diethoxy-N,N-dimethyl-1-butylamine; 4-Dimethylaminobutyraldehyde diethyl acetal

登记号

• CAS号: 1116-77-4
• MDL号: MFCD00671479
• PubChem SID: 24883505; 162236331
• PubChem CID: 547078

理论计算性质

• 极化表面积: 21.7 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.9505863
• LogD (pH = 7.4): -0.8683217
• Log P: 1.4843334
• 摩尔折射率: 55.9303 cm^3
• 极化性: 22.057634 Å^3

分子性质

理化性质

• 闪点: 156.2 °F; 69 °C; 70°C(158°F)
• 密度: 0.844 g/mL at 25 °C(lit.); 0.845
• 折射率: 1.4210; n20/D 1.421(lit.)

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 41
• 安全公开号: 26-36/37/39; 26-37
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H315-H319-H335; H318
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: 97%
• 级别: technical grade
• Empirical Formula (Hill Notation): C10H23NO2

详细说明

Sigma Aldrich - 647055

包装
5, 25 g in glass bottle
Application
Reactant for:
• Fischer indole reactions1