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结构：COC(=O)c1ccc(NC(C)=O)cc1OC
HCID77720

Methyl 4-(acetylamino)-2-methoxybenzoate

methyl 4-acetamido-2-methoxybenzoate

C11H13NO4223.22 g/molCAS 4093-29-2
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IDENTITY

结构与身份

标准 SMILES
COC(=O)c1ccc(NC(C)=O)cc1OC
InChIKey
OERVVBDWGVOBIS-UHFFFAOYSA-N
分子式
C11H13NO4
平均分子量
223.22 g/mol
单同位素质量
223.0844579

COMPUTED

结构计算性质

已同步
XLogP
1.2
极性表面积
64.6 Ų
氢键供体
1
氢键受体
4
可旋转键
4
重原子
16
形式电荷
0
复杂度
267

GHS

GHS 分类

来源：PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 1.8% (1 of 56) of reports.

Warning

H302 (96.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (23.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (73.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 56 reports by companies.；There are 5 notifications provided by 55 of 56 reports by companies with hazard statement code(s).；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
Regulatory Information

Status: Active Update: 06-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18302

Hazard Classes and Categories

Acute Tox. 4 (96.4%)；Skin Irrit. 2 (23.2%)；Eye Irrit. 2 (73.2%)

REGULATORY

法规信息

来源：PubChem
Regulatory Information

Status: Active Update: 06-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18302

ALIASES

名称与别名

共 46 条
4093-29-2methyl 4-(acetylamino)-2-methoxybenzoateMethyl 4-(acetylamino)-o-anisateW4UJW899BABenzoic acid, 4-(acetylamino)-2-methoxy-, methyl esterEINECS 223-839-6METOCLOPRAMIDE IMPURITY D [EP IMPURITY]METOCLOPRAMIDE IMPURITY D (EP IMPURITY)RefChem:815968223-839-6Methyl 4-acetamido-2-methoxybenzoateMethyl4-acetamido-2-methoxybenzoateMetoclopramide EP Impurity DMethyl 4-acetamido-o-anisateMFCD00065258DTXSID7057739MetocloprDmide EP Impurity DUNII-W4UJW899BA4-acetamido-2-methoxybenzoic acid methyl esterMethyl 4-Acetamido-2-Methoxy-Benzoate

REACTIONS

参与反应

1 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂