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

HCID 10464751CAS 67118-31-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCC(C(=O)O)N1CCCC1=O
InChIKey
IODGAONBTQRGGG-UHFFFAOYSA-N
분자식
C8H13NO3
평균 분자량
171.19 g/mol
단동위원소 질량
171.08954328

이름 및 식별자

우선 이름
2-(2-Oxopyrrolidin-1-yl)butanoic acid
IUPAC
2-(2-oxopyrrolidin-1-yl)butanoic acid
영어명
alpha-Ethyl-2-oxo-1-pyrrolidineacetic acid
분자식
C8H13NO3
분자량
171.19

이름 및 동의어

2-(2-oxopyrrolidin-1-yl)butanoic AcidImp-2 cpdRefChem:4543662-pyrrilidone-N-butyric acid1-ethyl-2-oxo-1-pyrrolidine acetic acid102-807-467118-31-4alpha-Ethyl-2-oxo-1-pyrrolidineacetic acidLevetiracetam EP Impurity A(2RS)-2-(2-Oxopyrrolidin-1-yl)butanoic acidLevetiracetam acid, (+/-)-Levetiracetam impurity A
이름 더 보기
LEVETIRACETAM EP IMP ALevatiracetam Impurity AEthyl 2-oxo-1-pyrrolidineacetate2-(2-oxopyrrolidin-1-yl)butanamideEthyl (2-oxopyrrolidin-1-yl)acetateEthyl-2-oxo-1-pyrrolidineacetic acid2-(2-oxo-1-pyrrolidinyl)butyric acid
Etiracetam carboxylic acidT5GZ0UL12V2-(2-Oxopyrrolidin-1-yl)butanoic acid, (+/-)-2-(2-Oxopyrrolidin-1-yl)butanoic acid, (2RS)-UNII-T5GZ0UL12VLevetiracetam Imp. A (EP); 1-Pyrrolidineacetic acid, alpha-ethyl-2-oxo-; Levetiracetam Impurity AMFCD08236692(2R)-2-(2-oxo-1-pyrrolidinyl)butanoic acid

데이터베이스 식별자

CAS
67118-31-4
PubChem CID
10464751
UNII
T5GZ0UL12V
EC Number
102-807-4

물성

구조 계산 물성

XLogP
0.3
극성 표면적
57.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
12

물리화학적 성질

녹는점
155 · 155-158 °C
끓는 점
371 · 371.0±25.0 °C(Predicted)
밀도
1.227 · 1.227
저장 조건
2 · 2-8°C
용해도
아세톤(약간), 클로로포름(약간), 메탄올(약간)에 용해됨
산도 계수 (pKa)
3.76 · 3.76±0.10(Predicted)

화학적 성질

White to Off-White Solid

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)

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk
WGK 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야

용도Etiracetam (E932970) intermediate.

상·하류 제품 정보

공급사50 곳

天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]

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