结构:O=C1NCCC1O
HCID10240772

3-Hydroxy-2-pyrrolidinone

3-hydroxypyrrolidin-2-one

C4H7NO2101.1 g/molCAS 15116-68-4

IDENTITY

结构与身份

标准 SMILES
O=C1NCCC1O
InChIKey
FRKGSNOMLIYPSH-UHFFFAOYSA-N
分子式
C4H7NO2
平均分子量
101.1 g/mol
单同位素质量
101.04767847

COMPUTED

结构计算性质

已同步
XLogP
-0.9
极性表面积
49.3 Ų
氢键供体
2
氢键受体
2
可旋转键
0
重原子
7
形式电荷
0
复杂度
91

GHS

GHS 分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%);Eye Irrit. 2 (100%)

Acute Tox. 4 (100%);Eye Irrit. 2 (100%)

ALIASES

名称与别名

28
3-Hydroxy-2-pyrrolidinone15116-68-4RefChem:502352640-644-5685-984-53-hydroxypyrrolidin-2-one15166-68-4MFCD0975125678340-48-4(s)-(-)-3-hydroxy-2-pyrrolidone2-pyrrolidinone, 3-hydroxy-(S)-3-Hydroxypyrrolidine-2-oneOxiracetam Impurity 25a-Hydroxy-?-butyrolactamSCHEMBL121282SCHEMBL1457363SCHEMBL1935404SCHEMBL19521030FRKGSNOMLIYPSH-UHFFFAOYSA-NAKOS005146224

REACTIONS

参与反应

10
HRID114942

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 114942 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID125448

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 125448 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID198718

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 198718 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID947618

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 947618 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1149834

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物
HRID 1149834 方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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HRID2123557

Training data from https://doi.org/10.1039/C8SC04228D (4/10)

作为反应物
HRID 2123557 方程式

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

查看条件与参与物