CAS 15116-68-4 3-Hydroxy-2-pyrrolidinone (HCID 10240772)

基本情報

CAS: 15116-68-4
標準SMILES: O=C1NCCC1O
InChIKey: FRKGSNOMLIYPSH-UHFFFAOYSA-N
分子式: C4H7NO2
平均分子量: 101.1 g/mol
単同位体質量: 101.04767847

名称と識別子

優先名称: 3-Hydroxy-2-pyrrolidinone
IUPAC: 3-hydroxypyrrolidin-2-one
現地名: 3-ヒドロキシ-2-ピロリジノン
英語名: 3-hydroxypyrrolidin-2-one
分子式: C4H7NO2
分子量: 101.10388

名称と別名

3-Hydroxy-2-pyrrolidinone15116-68-4RefChem:502352640-644-5685-984-53-hydroxypyrrolidin-2-one15166-68-42-pyrrolidinone, 3-hydroxy-MFCD09751256(s)-(-)-3-hydroxy-2-pyrrolidoneRacemate78340-48-4

名称をさらに表示

3-Hydroxy-2-pyrrolidinone,95%

3-Hydroxy-2-oxopyrrolidine(S)-3-Hydroxypyrrolidine-2-one3-hydroxypyrrolidoneOxiracetam Impurity 25a-Hydroxy-?-butyrolactamSCHEMBL121282SCHEMBL1457363SCHEMBL1935404

データベース識別子

CAS: 15116-68-4、15166-68-4
PubChem CID: 10240772
EC Number: 640-644-5、685-984-5
Nikkaji: J2.930.326F

物性

構造計算による物性

XLogP: -0.9
極性表面積: 49.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 91

物理化学的性質

融点: 102 · 102-107°C
貯蔵温度: 2 · 2-8°C
外見: solid
InChI: 1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)
InChIKey: FRKGSNOMLIYPSH-UHFFFAOYSA-N
SMILES: OC1CCNC1=O

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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.