CAS 65202-59-7 4-Ethyl 1-methyl 3-oxopiperidine-1,4-dicarboxylate (HCID 10561371)

基本情報

CAS: 65202-59-7
標準SMILES: CCOC(=O)C1CCN(C(=O)OC)CC1=O
InChIKey: PTKLDHADMDDGDN-UHFFFAOYSA-N
分子式: C10H15NO5
平均分子量: 229.23 g/mol
単同位体質量: 229.09502258

名称と識別子

優先名称: 4-Ethyl 1-methyl 3-oxopiperidine-1,4-dicarboxylate
IUPAC: 4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate
現地名: 3-オキソ-1,4-ピペリジンジカルボン酸4-エチル1-メチル
英語名: 4-ethyl 1-methyl 3-oxopiperidine-1,4-dicarboxylate
分子式: C10H15NO5
分子量: 229.23

名称と別名

4-Ethyl 1-methyl 3-oxopiperidine-1,4-dicarboxylate65202-59-7EINECS 265-615-0DTXSID809838074-Ethyl 1-methyl 3-oxo-1,4-piperidinedicarboxylateRefChem:522696DTXCID601411036265-615-04-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate8YN8K55FV5SCHEMBL3621568DB-349194

名称をさらに表示

3-オキソ-1,4-ピペリジンジカルボン酸4-エチル1-メチル3-オキソ-1,4-ピペリジンジカルボン酸1-メチル4-エチル4-エチル 1-メチル 3-オキソピペリジン-1,4-ジカルボキシラート3-Oxo-1,4-piperidinedicarboxylic acid 4-ethyl 1-methyl ester3-Oxo-1,4-piperidinedicarboxylic acid 1-methyl 4-ethyl ester

NS00056852EN300-993214-Ethyl1-methyl3-oxopiperidine-1,4-dicarboxylateEthyl 1-methoxycarbonyl-3-oxopiperidine-4-carboxylate1,4-Piperidinedicarboxylic acid, 3-oxo-, 4-ethyl 1-methyl ester4-Ethyl 1-methyl 3,6-dihydro-5-hydroxy-1,4(2H)-pyridinedicarboxylate

データベース識別子

CAS: 65202-59-7
PubChem CID: 10561371
DTXSID: DTXSID80983807
UNII: 8YN8K55FV5
EC Number: 265-615-0
Nikkaji: J307.331I

物性

構造計算による物性

XLogP: 0.5
極性表面積: 72.9 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 302

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.