5-(Diethoxyphosphoryl)-5-methyl-1-pyrroline-N-oxide

HCID 119606CAS 157230-67-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOP(=O)(OCC)C1(C)CCC=[N+]1[O-]
InChIKey: OKCDBZSDRSXFIB-UHFFFAOYSA-N
분자식: C9H18NO4P
평균 분자량: 235.22 g/mol
단동위원소 질량: 235.09734469

개요

a phosphorylated spin trap; structure given in first source

이름 및 식별자

우선 이름: 5-(Diethoxyphosphoryl)-5-methyl-1-pyrroline-N-oxide
IUPAC: 2-diethoxyphosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-ium
영어명: DEPMPO
분자식: C9H18NO4P
분자량: 235.22

이름 및 동의어

157230-67-65-(DIETHOXYPHOSPHORYL)-5-METHYL-1-PYRROLINE-N-OXIDE5-DEPMPO5-Diethoxyphosphoryl-5-methyl-1-pyrroline N-oxideDEPDMPORefChem:531099DEPMPO5-(Diethylphosphono)-5-methyl-1-pyrroline N-Oxide2-diethoxyphosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-iumPhosphonic acid, P-(3,4-dihydro-2-methyl-1-oxido-2H-pyrrol-2-yl)-, diethyl ester5-Diethoxyphosphoryl-5-methyl-1-pyrroline-N-oxideHY-120976

이름 더 보기

DEPMPO, Spin trap5-(Diethoxyphosphoryl)-5-(DIETHOXYPHOSPHONYL)-5-METHYL-1-PYRROLINE-N-OXIDE5-(Diethylphosphono)-5-methyl-1-pyrrolineN-Oxide>5-(Diethylphosphono)-5-methyl-1-pyrroline N-Oxide2-DIETHYLPHOSPHONO-2-METHYL-3,4-DIHYDRO-2H-PYRROLE 1-OXIDE(2-METHYL-3,4-DIHYDRO-1-OXIDE-2H-PYRROL-2-YL)DIETHYLPHOSPHONATE

D3068Phosphonicacid,P-(3,4-dihydro-2-methyl-1-oxido-2H-pyrrol-2-yl)-,diethylester2-(diethoxyphosphoryl)-2-methyl-3,4-dihydro-2H-pyrrol-1-ium-1-olateSCHEMBL829255orb1694103OKCDBZSDRSXFIB-UHFFFAOYSA-NGLXC-028982-(diethoxyphosphoryl)-2-methyl-3,4-dihydro-2H-pyrrole 1-oxide

데이터베이스 식별자

CAS: 157230-67-6
PubChem CID: 119606
DTXSID: DTXSID80935644
EC Number: 680-175-3
Nikkaji: J634.523I

물성

구조 계산 물성

XLogP: -0.6
극성 표면적: 64.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 294

물리화학적 성질

끓는 점: 412.4 · 412.4±34.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
저장 조건: Freezer
용해도: 물이나 에탄올에 용해됩니다.
물리적 상태: 무색 내지 담황색 오일.
산도 계수 (pKa): 1.74 · 1.74±0.40(Predicted)
색상: 옅은 노랑
안정성: 흡습성 오일, 감광성

화학적 성질

DEPMPO is Pale Yellow Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야

용도DEPMPO is a spin trap useful as a probe for free radical formation during myocardial ischemia/reperfusion injury. An analogue of DMPO

상·하류 제품 정보

상류 원료

공급사29 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

연결된 노트

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