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化合物简介
Primary alkaloid of various species of Cinchona (Rubiaceae). Optical isomer of Quinidine. Antimalarial; muscle relaxant (skeletal).
基本信息
CAS:130-95-0
中文别名:金鸡纳霜;金鸡纳碱;鸡纳碱;规宁;
英文别名:Chinin;Cinchonan-9-ol, 6\'-methoxy-, (8α,9R)-;Cinchonan-9-ol, 6\'-methoxy-, (8alpha,9R)-;Kinin;Quinina;(R)-(6-Methoxyquinolin-4-yl)((1R,2R,4R,5S)-5-vinylquinuclidin-2-yl)methanol;QUININE;chinine;Quinie;
分子式:C20H24N2O2
分子量:324.417
精确质量:324.184
Psa:45.59
Logp:3.1111
中文别名:金鸡纳霜;金鸡纳碱;鸡纳碱;规宁;
英文别名:Chinin;Cinchonan-9-ol, 6\'-methoxy-, (8α,9R)-;Cinchonan-9-ol, 6\'-methoxy-, (8alpha,9R)-;Kinin;Quinina;(R)-(6-Methoxyquinolin-4-yl)((1R,2R,4R,5S)-5-vinylquinuclidin-2-yl)methanol;QUININE;chinine;Quinie;
分子式:C20H24N2O2
分子量:324.417
精确质量:324.184
Psa:45.59
Logp:3.1111
编号系统
MDL号:MFCD00198096
RTECS号:VA6020000
BRN号:91867
EINECS号:205-003-2
PubChem号:24848751
RTECS号:VA6020000
BRN号:91867
EINECS号:205-003-2
PubChem号:24848751
物化性质
外观与性状:斜方晶系的针状物,无味
密度:1.21g/cm3
沸点:495.9ºC at 760mmHg
熔点:176-177ºC
闪点:253.7ºC
折射率:1.625 (15ºC)
稳定性:Stable under normal temperatures and pressures. May discolor on exposure to light.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store below 40ºC.
蒸汽压:0mmHg at 25°C
密度:1.21g/cm3
沸点:495.9ºC at 760mmHg
熔点:176-177ºC
闪点:253.7ºC
折射率:1.625 (15ºC)
稳定性:Stable under normal temperatures and pressures. May discolor on exposure to light.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store below 40ºC.
蒸汽压:0mmHg at 25°C
安全信息
安全说明:S26-S37/39
危险类别码:R22; R36/37/38
WGK Germany:3
危险品运输编码:UN 1544
海关编码:29392110
危险类别:6.1(b)
包装等级:III
危险品标志:Xn
危险类别码:R22; R36/37/38
WGK Germany:3
危险品运输编码:UN 1544
海关编码:29392110
危险类别:6.1(b)
包装等级:III
危险品标志:Xn
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

Raman : 4880 A,200 M,powder

Mass

IR : KBr disc

IR : nujol mull
