1-甲基-4-哌啶甲酸乙酯

Ethyl 1-methylpiperidine-4-carboxylate

HCID 11062856CAS 24252-37-7

子结构检索查找相似结构

基本信息

标准SMILES: CCOC(=O)C1CCN(C)CC1
InChIKey: JWXOOQCMGJBSML-UHFFFAOYSA-N
分子式: C9H17NO2
平均分子量: 171.24 g/mol
单同位素质量: 171.12592878

名称与标识

首选名称: Ethyl 1-methylpiperidine-4-carboxylate
IUPAC: ethyl 1-methylpiperidine-4-carboxylate
中文名: 1-甲基-4-哌啶甲酸乙酯
英文名: Ethyl 1-methyl-4-piperidinecarboxylate
分子式: C9H17NO2
分子量: 171.24

名称与别名

Ethyl 1-methylpiperidine-4-carboxylate24252-37-7DTXSID80453777RefChem:342078DTXCID70404596687-432-9Ethyl 1-methyl-4-piperidinecarboxylateMFCD00130015ETHYL N-METHYLISONIPECOTATE1-Methyl-piperidine-4-carboxylic acid ethyl esterEthyl 1-methyl Piperidine-4-carboxylateSCHEMBL446501

展开更多名称

1-甲基-4-哌啶甲酸乙1-甲基-4-哌啶甲酸乙酯1-甲基哌啶-4-甲酸乙酯N-甲基-4-哌啶甲酸乙酯1-甲基哌啶-4-羧酸乙酯1-甲基-哌啶-4-甲酸乙基酯乙基 1-甲基哌啶-4-羧酸酯1-甲基-4-哌啶甲酸乙酯99%1-甲基哌啶-4-甲酸乙酯, 97+%1-甲基-4-哌啶甲酸乙酯 99% 50GEthyl N-Methyl piperidine-4-carboxylateEthyl 1-methylpiperidine-4-carboxylate 97%Ethyl 1-Methylpiperidine-4-carboxylate, 97+%Ethyl 1-methylpiperidine-4-carboxylate, 96%,1-methyl-4-piperidinecarboxylic acid ethyl ester1-Methyl-piperidin-4-carboxylic acid ethyl ester

Ethyl1-methylpiperidine-4-carboxylateAB03667AC-22456DS-13280SY0090661-methyl-4-piperdine carboxylic acid ethyl esterethyl 1-methyl-piperidine-4-carboxylateN-Methyl ethyl isonipecotate

数据库标识

CAS: 24252-37-7
PubChem CID: 11062856
DTXSID: DTXSID80453777
EC Number: 687-432-9
Nikkaji: J629.375A

性质

结构计算性质

XLogP: 1
极性表面积: 29.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 151

物理化学性质

沸点: 94 · 94-95 °C(Press: 12 Torr)
密度: 0.963 g/mL · 0.963 g/mL at 25 °C
折射率: 20 · n20/D1.450
闪点: 87 ℃ · 87℃
储存条件: Sealed in dry,Room Temperature
酸度系数(pKa): 8.5 · 8.50±0.10(Predicted)
形态: liquid
外观: Colorless to light yellow Liquid
InChI: 1S/C9H17NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h8H,3-7H2,1-2H3
InChIKey: JWXOOQCMGJBSML-UHFFFAOYSA-N
SMILES: CCOC(=O)C1CCN(C)CC1
CAS 数据库: 24252 · 24252-37-7(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

wgk: 3
存储类别: 10 - Combustible liquids
安全说明: 26-36/37/39
海关编码: 29333990
危险品标志: Xi
危险性类别: Eye Dam. 1Skin Irrit. 2STOT SE 3
危险类别码: 37/38-41
危险品运输编号: NA 1993 / PGIII

化学与工业

应用领域

用途1-甲基-4-哌啶甲酸乙酯为无色至浅黄色液体，易燃液体，要远离热源、火花、明火和热表面存放，它是一种重要的医药、化工中间体。可造成皮肤刺激，可能引起呼吸道刺激，造成严重眼损伤。

上下游产品信息

上游原料

1-甲基哌啶-4-甲酸 4-哌啶甲酸乙酯甲醛氢气氢氧化钠醋酸

下游产品

1-甲基哌啶-4-甲酸盐酸 1-甲基-4-哌啶甲醇

试剂价格

H33259 · 500mg: 乙基 1-甲基哌啶-4-羧酸酯, 96%Ethyl 1-methylpiperidine-4-carboxylate, 96% — 946元
XW242523772 · 25G: 1-甲基-4-哌啶甲酸乙酯ethyl 1-methylpiperidine-4-carboxylate;1-methylpiperidine-4-carboxylic acid ethyl ester;ethyl n-methyl piperidine-4-carboxylate;ethyl 1-methyl-4-piperidinecarboxylate;ethyl n-methylisonipecotate;4-(ethoxycarbonyl)-1-methylpiperidine — 132元