反应SMILES:NC(=O)N1CCCC1
HCID138335

1-Pyrrolidinecarboxamide

pyrrolidine-1-carboxamide

C5H10N2O114.15 g/molCAS 4736-71-4

IDENTITY

结构与身份

标准SMILES
NC(=O)N1CCCC1
InChIKey
LCDCPQHFCOBUEF-UHFFFAOYSA-N
分子式
C5H10N2O
平均分子量
114.15 g/mol
单同位素质量
114.07931295

COMPUTED

结构计算性质

已同步
XLogP
-0.2
极性表面积
46.3 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
8
形式电荷
0
复杂度
96

GHS

GHS分类

来源:PubChem
GHS Classification

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 33 条
pyrrolidine-1-carboxamide4736-71-41-PyrrolidinecarboxamideDTXSID30197119NSC 117254RefChem:436519DTXCID90119610855-149-1Pyrrolidine-1-carboxylic acid amideMFCD00509172pyrrolidine carboxamidepyrroldineamidepyrrolidineamidepyrrolidine amideNSC117254pyrrolidine carboxarnideSCHEMBL302275SCHEMBL302276SCHEMBL1363715SCHEMBL1363716

REACTIONS

参与反应

87
HRID213017

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

作为产物、反应物
HRID 213017 方程式

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

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HRID239470

uspto-grants-2014_02

作为反应物
HRID 239470 方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642759B2

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HRID322614

uspto-grants-2001_04

作为反应物
HRID 322614 方程式

uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06211364B1

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HRID411900

uspto-grants-2003_05

作为反应物
HRID 411900 方程式

uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06559312B2

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HRID411901

uspto-grants-2003_05

作为反应物
HRID 411901 方程式

uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06559312B2

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HRID411902

uspto-grants-2003_05

作为反应物
HRID 411902 方程式

uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06559312B2

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HRID411903

uspto-grants-2003_05

作为反应物
HRID 411903 方程式

uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06559312B2

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HRID411904

uspto-grants-2003_05

作为反应物
HRID 411904 方程式

uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06559312B2

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