Ethyl 3-(5-oxopyrrolidin-2-yl)propanoate

HCID 558761CAS 89317-07-7

基本情報

標準SMILES: CCOC(=O)CCC1CCC(=O)N1
InChIKey: YFBCKVZBTFSKHG-UHFFFAOYSA-N
分子式: C9H15NO3
平均分子量: 185.22 g/mol
単同位体質量: 185.10519334

名称と識別子

優先名称: Ethyl 3-(5-oxopyrrolidin-2-yl)propanoate
IUPAC: ethyl 3-(5-oxopyrrolidin-2-yl)propanoate

名称と別名

ethyl 3-(5-oxopyrrolidin-2-yl)propanoate89317-07-7RefChem:594703102-123-6ethyl3-(5-oxopyrrolidin-2-yl)propanoatePyrrolidine-5-one-2-propionic acid, ethyl etherCHEMBL146645SCHEMBL10372330AT44981Ethyl 3-(5-oxo-2-pyrrolidinyl)propanoateCS-0262063Ethyl 3-(5-oxo-2-pyrrolidinyl)propanoate #

名称をさらに表示

Pyrrol-2-one-5-propionic acid, ethyl ester5-oxo-2-pyrrolidinepropanoic acid ethyl esterEN300-8115477Pyrrolidine-5-one-2-propionic acid, ethyl (ester)

データベース識別子

CAS: 89317-07-7
PubChem CID: 558761
ChEMBL: CHEMBL146645
EC Number: 102-123-6

物性

構造計算による物性

XLogP: 0.2
極性表面積: 55.4 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 13
形式電荷: 0
複雑度: 203

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.