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

HCID 10464751CAS 67118-31-4

基本情報

標準SMILES: CCC(C(=O)O)N1CCCC1=O
InChIKey: IODGAONBTQRGGG-UHFFFAOYSA-N
分子式: C8H13NO3
平均分子量: 171.19 g/mol
単同位体質量: 171.08954328

名称と識別子

優先名称: 2-(2-Oxopyrrolidin-1-yl)butanoic acid
IUPAC: 2-(2-oxopyrrolidin-1-yl)butanoic acid
英語名: alpha-Ethyl-2-oxo-1-pyrrolidineacetic acid
分子式: C8H13NO3
分子量: 171.19

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.3
極性表面積: 57.6 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: 3
重原子数: 12
形式電荷: 0
複雑度: 202

物理化学的性質

融点: 155 · 155-158 °C
沸点: 371 · 371.0±25.0 °C(Predicted)
比重(密度): 1.227 · 1.227
貯蔵温度: 2 · 2-8°C
溶解性: アセトン（微量）、クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 3.76 · 3.76±0.10(Predicted)
色: ホワイトからオフホワイト
主な用途: 医薬品（低分子化合物）
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

化学的性質

化学的特性White to Off-White Solid

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)

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.

危険有害性情報

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

安全データ

wgk: WGK 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Etiracetam (E932970) intermediate.

上流・下流製品情報

下流製品

Levetiracetam acid (2S)-2-(2-オキソピロリジン-1-イル)ブタン酸

サプライヤー50 社

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]