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

HCID 558761CAS 89317-07-7

기본 정보

표준 SMILES: CCOC(=O)CCC1CCC(=O)N1
InChIKey: YFBCKVZBTFSKHG-UHFFFAOYSA-N
분자식: C9H15NO3
평균 분자량: 185.22 g/mol
단동위원소 질량: 185.10519334

이름 및 식별자

우선 이름: Ethyl 3-(5-oxopyrrolidin-2-yl)propanoate
IUPAC: ethyl 3-(5-oxopyrrolidin-2-yl)propanoate

이름 및 동의어

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 #

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 55.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 13
형식 전하: 0
복잡도: 203

안전 및 규제

GHS 분류

GHS Classification · 5건

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.