Ethyl 2-oximinooxamate

HCID 9614369

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 10489-74-4
표준 SMILES: CCOC(=O)/C(N)=N/O
InChIKey: QGYKRMZPOOILBA-UHFFFAOYSA-N
분자식: C4H8N2O3
평균 분자량: 132.12 g/mol
단동위원소 질량: 132.05349212

이름 및 식별자

우선 이름: Ethyl 2-oximinooxamate
IUPAC: ethyl (2Z)-2-amino-2-hydroxyiminoacetate
영어명: Ethyl-2-oximinooxamate, 97%
분자식: C4H8N2O3
분자량: 132.12

이름 및 동의어

Ethyl 2-oximinooxamate10489-74-4DTXSID40430645RefChem:342925DTXCID10381478626-986-8144167-29-3ethyl (2Z)-2-amino-2-hydroxyiminoacetateethyl 2-amino-2-(hydroxyimino)acetateEthyl (N'-hydroxycarbamimidoyl)formateETHYL 2-AMINO(HYDROXYIMINO)ACETATEethyl (2z)-amino(hydroxyimino)acetate

이름 더 보기

Ethyl amino(hydroxyimino)ethanoateEthyl 2-oxime oxalateEthyl 2-oxiMinooxaMate 97%Ethoxycarbonyl formamidoxime(Ethoxycarbonyl)formamide oximeEthyl 2-(hydroxyimino)-2-aminoacetate

Ethyl aminohydroxyiminoacetateethyl (Z)-2-amino-2-(hydroxyimino)acetateamino-hydroxyimino-acetic acid ethyl ester(Z)-ethyl 2-amino-2-(hydroxyimino)acetateETHYL 2-(HYDROXYAMINO)-2-IMINOACETATEETHYL-2-OXIMINOOXAMATE, 97%Acetic acid, 2-amino-2-(hydroxyimino)-, ethyl ester, (2E)-SCHEMBL3222024

데이터베이스 식별자

CAS: 10489-74-4
PubChem CID: 9614369
DTXSID: DTXSID40430645
EC Number: 626-986-8
Nikkaji: J1.325.931C

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 84.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 132

물리화학적 성질

녹는점: 99 · 99-103 °C (lit.)
끓는 점: 198 ℃ · 198℃
밀도: 1.34 · 1.34
인화점: 74 ℃ · 74℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 결정성 분말
산도 계수 (pKa): 10.27 · 10.27±0.69(Predicted)
색상: 흰색에서 노란색으로
InChI: 1S/C4H8N2O3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3,(H2,5,6)
InChIKey: QGYKRMZPOOILBA-UHFFFAOYSA-N
SMILES: CCOC(=O)\C(N)=N/O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.