O-(2-(ビニルオキシ)エチル)ヒドロキシルアミン

O-(2-(Vinyloxy)ethyl)hydroxylamine

HCID 21867017

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 391212-29-6
標準SMILES: C=COCCON
InChIKey: XZTSFVPMMQNIAJ-UHFFFAOYSA-N
分子式: C4H9NO2
平均分子量: 103.12 g/mol
単同位体質量: 103.06332853

名称と識別子

優先名称: O-(2-(Vinyloxy)ethyl)hydroxylamine
IUPAC: O-(2-ethenoxyethyl)hydroxylamine
現地名: O-(2-(ビニルオキシ)エチル)ヒドロキシルアミン
英語名: O-(2-(vinyloxy)ethyl)hydroxylamine
分子式: C4H9NO2
分子量: 103.12

名称と別名

O-(2-(Vinyloxy)ethyl)hydroxylamineO-[2-(Vinyloxy)ethyl]hydroxylamineRefChem:855101811-731-7391212-29-6O-(2-ethenoxyethyl)hydroxylamineO-[2-(ethenyloxy)ethyl]hydroxylamineMFCD09951926O-(2-vinyloxyethyl)hydroxylamine1-[2-(aminooxy)ethoxy]ethyleneHydroxylamine, O-[2-(ethenyloxy)ethyl]-RefChem

名称をさらに表示

O-(2-(ビニルオキシ)エチル)ヒドロキシルアミンO-(2-(Vinyloxy)2-(Vinyloxy)ethoxyaMineSelumetinib IntermediateO-(2-(Vinyloxy)ethyl)hydroxylamine95%methyl 2-((2-fluoro-4-iodophenyl)amino)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylate

SCHEMBL219339DTXSID40619094XZTSFVPMMQNIAJ-UHFFFAOYSA-NO-(2-vinyloxy-ethyl)hydroxylamineO-(2-vinyloxyethyl)-hydroxylamineCS-M0262O-(2-vinyloxy-ethyl)-hydroxylamineO-(2-(vinyl-oxy)ethyl)hydroxylamine

データベース識別子

CAS: 391212-29-6
PubChem CID: 21867017
DTXSID: DTXSID40619094
EC Number: 811-731-7

物性

構造計算による物性

XLogP: -0.1
極性表面積: 44.5 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: 4
重原子数: 7
形式電荷: 0
複雑度: 47

物理化学的性質

沸点: 60 · 60-65 °C(Press: 20 Torr)
比重(密度): 0.972 · 0.972
貯蔵温度: -20 °C, · -20°C, protect from light, stored under nitrogen
酸解離定数(Pka): 4.07 · 4.07±0.70(Predicted)
InChI: InChI=1S/C4H9NO2/c1-2-6-3-4-7-5/h2H,1,3-5H2
InChIKey: XZTSFVPMMQNIAJ-UHFFFAOYSA-N
SMILES: NOCCOC=C
CAS データベース: 391212 · 391212-29-6

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Danger

H227 (33.3%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)

安全データ

hs_code: 2928009090

化学と産業

応用分野

使用O-(2-(vinyloxy)ethyl)hydroxylamine is a pharmaceutical intermediate compound used in the preparation of the antitumour agents Selumetinib and Binimetinib.