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化合物简介
Metabolite fingerprinting in transgenic Nicotiana tabacum altered by the Escherichia coli glutamate dehydrogenase gene. A synthetic intermediate in the preparation of CNS depressants.
基本信息
CAS:25503-90-6
中文别名:1-乙酰基异哌啶酸;N-乙酰基-4-哌啶羧酸;N-乙酰基哌啶-4-羧酸;-乙酰基-4-哌啶甲酸;1-乙酰基哌啶-4-羧酸;
英文别名:1-Acetyl-4-piperidinecarboxylic Acid;N-acetyl-4-piperidine carboxylic acid;Acetylisonipecotic acid;1-acetylisonipecotic acid;acetylpiperidine-4-carboxylic acid;1-Acetylpiperidine-4-carboxylic acid;1-Acetylisonipecotic Acid;1-Acetyl-4-piperidinecarboxylic acid;l-acetyl-piperidine-4-carboxylic acid;
分子式:C8H13NO3
分子量:171.194
精确质量:171.09
Psa:57.61
Logp:0.2674
中文别名:1-乙酰基异哌啶酸;N-乙酰基-4-哌啶羧酸;N-乙酰基哌啶-4-羧酸;-乙酰基-4-哌啶甲酸;1-乙酰基哌啶-4-羧酸;
英文别名:1-Acetyl-4-piperidinecarboxylic Acid;N-acetyl-4-piperidine carboxylic acid;Acetylisonipecotic acid;1-acetylisonipecotic acid;acetylpiperidine-4-carboxylic acid;1-Acetylpiperidine-4-carboxylic acid;1-Acetylisonipecotic Acid;1-Acetyl-4-piperidinecarboxylic acid;l-acetyl-piperidine-4-carboxylic acid;
分子式:C8H13NO3
分子量:171.194
精确质量:171.09
Psa:57.61
Logp:0.2674
编号系统
MDL号:MFCD00023706
EINECS号:247-049-6
PubChem号:24883546
BRN号:389577
EINECS号:247-049-6
PubChem号:24883546
BRN号:389577
物化性质
外观与性状:白色结晶粉末
密度:1.213 g/cm3
沸点:374ºC at 760 mmHg
熔点:180-184°C(lit.)
闪点:180ºC
水溶解性:50 g/L (20 ºC)
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:1.26E-06mmHg at 25°C
密度:1.213 g/cm3
沸点:374ºC at 760 mmHg
熔点:180-184°C(lit.)
闪点:180ºC
水溶解性:50 g/L (20 ºC)
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:1.26E-06mmHg at 25°C
安全信息
安全说明:S26-S36-S37/39
WGK Germany:2
危险类别码:R36/37/38
海关编码:2933399090
危险品标志:Xi
WGK Germany:2
危险类别码:R36/37/38
海关编码:2933399090
危险品标志:Xi
生产方法及用途
用途
用于利培酮原料药的合成
用于利培酮原料药的合成
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
