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化合物简介
3,3-Diethoxypropionitrile is a propionitrile derivative used in the preparation of various biologically active compounds such as p38α mitogen-activated protein kinase inhibitors.
基本信息
CAS:2032-34-0
中文别名:1,1-二乙氧基-2-氰基乙烷;3,3-二乙氧基丙腈;
英文别名:cyanacetaldehyde diethylacetal;3,3-Diethoxypropionitrile;1,1-Diethoxy-2-cyanoethane;1,1-diethoxypropionitrile;3,3-diethoxypropane-nitrile;3,3-Diethoxypropanenitrile;3,3-bis(ethyloxy)propanenitrile;Cyanoacetaldehyde Diethyl Acetal;
分子式:C7H13NO2
分子量:143.184
精确质量:143.095
Psa:42.25
Logp:1.29918
中文别名:1,1-二乙氧基-2-氰基乙烷;3,3-二乙氧基丙腈;
英文别名:cyanacetaldehyde diethylacetal;3,3-Diethoxypropionitrile;1,1-Diethoxy-2-cyanoethane;1,1-diethoxypropionitrile;3,3-diethoxypropane-nitrile;3,3-Diethoxypropanenitrile;3,3-bis(ethyloxy)propanenitrile;Cyanoacetaldehyde Diethyl Acetal;
分子式:C7H13NO2
分子量:143.184
精确质量:143.095
Psa:42.25
Logp:1.29918
编号系统
PubChem号:24863564
MDL号:MFCD00040558
EINECS号:217-988-6
MDL号:MFCD00040558
EINECS号:217-988-6
物化性质
外观与性状:透明黄色至棕色液体
密度:0.954g/mLat 25°C(lit.)
沸点:91-93°C11mm Hg(lit.)
熔点:82-84
闪点:183°F
折射率:n20/D 1.415(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
蒸汽压:0.0508mmHg at 25°C
密度:0.954g/mLat 25°C(lit.)
沸点:91-93°C11mm Hg(lit.)
熔点:82-84
闪点:183°F
折射率:n20/D 1.415(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
蒸汽压:0.0508mmHg at 25°C
安全信息
安全说明:S26-S36
WGK Germany:2
危险类别码:R36/37/38
海关编码:29269095
危险品运输编码:3275
包装等级:I; II; III
危险品标志:Xi
WGK Germany:2
危险类别码:R36/37/38
海关编码:29269095
危险品运输编码:3275
包装等级:I; II; III
危险品标志:Xi
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

Mass

IR : liquid film
