Ethyl acetohydroximate

HCID 99894CAS 10576-12-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOC(C)=NO
InChIKey: QWKAVVNRCKPKNM-UHFFFAOYSA-N
分子式: C4H9NO2
平均分子量: 103.12 g/mol
単同位体質量: 103.06332853

概要

structure in first source

名称と識別子

優先名称: Ethyl acetohydroximate
IUPAC: ethyl N-hydroxyethanimidate

名称と別名

Ethyl acetohydroximateRefChem:138198Ethyl N-hydroxyethanimidateEthanimidic acid, N-hydroxy-, ethyl ester10576-12-2Ethyl N-hydroxyacetimidate20703-42-8PHX9UH9AV1N-Hydroxyethanimidic acid, ethyl ester(E)-Ethyl N-hydroxyacetimidate(Z)-Ethyl N-hydroxyacetimidateN-Hydroxyacetimidic Acid Ethyl Ester

名称をさらに表示

NSC-255004EINECS 234-165-7NSC 255004UNII-PHX9UH9AV1ethyl-N-hydroxyacetimidateETHYL ACETATE, OXIMEethyl N-hydroxyethaneimidoateSCHEMBL513886

データベース識別子

CAS: 10576-12-2
PubChem CID: 99894
DTXSID: DTXSID2065129
UNII: PHX9UH9AV1
EC Number: 234-165-7

物性

構造計算による物性

XLogP: 0.7
極性表面積: 41.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 70.1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (89.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.