反应SMILES:CCOC(=O)C(=O)NC
HCID3413434

Ethyl 2-(methylamino)-2-oxoacetate

C5H9NO3131.13 g/molCAS 18522-95-7

IDENTITY

结构与身份

标准SMILES
CCOC(=O)C(=O)NC
InChIKey
GVQZKKPQRSZDPW-UHFFFAOYSA-N
分子式
C5H9NO3
平均分子量
131.13 g/mol
单同位素质量
131.05824315

COMPUTED

结构计算性质

已同步
XLogP
0.2
极性表面积
55.4 Ų
氢键供体
1
氢键受体
3
可旋转键
3
重原子
9
形式电荷
0
复杂度
121

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 25 条
ethyl 2-(methylamino)-2-oxoacetate18522-95-7RefChem:594015898-080-2ethyl (methylcarbamoyl)formateethyl N-methyloxamateMFCD02859930ethyl (methylamino)(oxo)acetateSCHEMBL259628F2189-0426GVQZKKPQRSZDPW-UHFFFAOYSA-Nethyl2-(methylamino)-2-oxoacetateML778R4F58Oxamic acid, methyl-, ethyl esterTAA52295ethyl 2-(methylamino)-2-oxo-acetateAKOS003593775AS-54943SY123697oxalic acid monomethylamide monoethyl ester

REACTIONS

参与反应

4
HRID429617

uspto-grants-2001_11

作为反应物
HRID 429617 方程式

uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06316482B1

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HRID727837

uspto-grants-1991_09

作为反应物
HRID 727837 方程式

uspto-grants-1991_09 · 10.6084/m9.figshare.5104873.v1 · US05045556

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HRID1533749

uspto-grants-2001_03

作为反应物
HRID 1533749 方程式

uspto-grants-2001_03 · 10.6084/m9.figshare.5104873.v1 · US06207693B1

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HRID2372402

uspto-grants-1992_03

作为反应物
HRID 2372402 方程式

uspto-grants-1992_03 · 10.6084/m9.figshare.5104873.v1 · US05098922

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