2-(2-Oxopyrrolidin-1-yl)butanoic acid

Levetiracetam EP Impurity A · LEVETIRACETAM EP IMP A · LevetiracetaM IMpurity A · Levatiracetam Impurity A · EtiracetaM Carboxylic Acid · Ethyl 2-oxo-1-pyrrolidineacetate · 2-(2-oxopyrrolidin-1-yl)butanamide · Ethyl (2-oxopyrrolidin-1-yl)acetate

https://huagongshe.com/ko/chemical/10464751

2-(2-Oxopyrrolidin-1-yl)butanoic acid 분자 구조식

식별자 및 물리적 특성

CAS No.	67118-31-4
분자식	C8H13NO3
평균 분자량	171.19 g/mol
단동위원소 질량	171.08954328 g/mol
SMILES	CCC(C(=O)O)N1CCCC1=O
InChIKey	IODGAONBTQRGGG-UHFFFAOYSA-N
PubChem CID	10464751
EC No.	102-807-4

화학 및 물리적 성질

XLogP	0.3
극성 표면적	57.6
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	12
형식 전하	0
복잡도	202
녹는점	155-158 °C
끓는 점	371.0±25.0 °C(Predicted)
밀도	1.227
저장 조건	2-8°C
용해도	아세톤(약간), 클로로포름(약간), 메탄올(약간)에 용해됨
pKa(산도 계수)	3.76±0.10(Predicted)
색상	흰색에서 황백색까지
주요 응용	의약품(소분자)
InChI	1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKey	IODGAONBTQRGGG-UHFFFAOYSA-N
SMILES	N1(CCCC1=O)C(CC)C(=O)O

화학적 성질

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안전 및 규제

GHS 분류	WarningH315 (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 exposureRespiratory 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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
수질 위해 등급(WGK)	WGK 3
저장 분류	11 - Combustible Solids

용도

Etiracetam (E932970) intermediate.