O-(2-(비닐옥시)에틸)히드록실아민

O-(2-(Vinyloxy)ethyl)hydroxylamine

HCID 21867017CAS 391212-29-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=COCCON
InChIKey: XZTSFVPMMQNIAJ-UHFFFAOYSA-N
분자식: C4H9NO2
평균 분자량: 103.12 g/mol
단동위원소 질량: 103.06332853

이름 및 식별자

우선 이름: O-(2-(Vinyloxy)ethyl)hydroxylamine
IUPAC: O-(2-ethenoxyethyl)hydroxylamine
현지명: O-(2-(비닐옥시)에틸)히드록실아민
영어명: O-(2-(vinyloxy)ethyl)hydroxylamine
분자식: C4H9NO2
분자량: 103.12

이름 및 동의어

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

이름 더 보기

O-(2-(비닐옥시)에틸)히드록실아민O-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 7
형식 전하: 0
복잡도: 47

물리화학적 성질

끓는 점: 60 · 60-65 °C(Press: 20 Torr)
밀도: 0.972 · 0.972
저장 조건: -20 °C, · -20°C, protect from light, stored under nitrogen
산도 계수 (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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

HS 번호: 2928009090

화학 및 산업

응용 분야

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