5-메톡시-3,4-디하이드로-2H-피롤

2-Methoxy-1-Pyrroline

HCID 353443CAS 5264-35-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC1=NCCC1
InChIKey: QYGNDKJRRNVSEC-UHFFFAOYSA-N
분자식: C5H9NO
평균 분자량: 99.13 g/mol
단동위원소 질량: 99.06841391

이름 및 식별자

우선 이름: 2-Methoxy-1-Pyrroline
IUPAC: 5-methoxy-3,4-dihydro-2H-pyrrole
현지명: 5-메톡시-3,4-디하이드로-2H-피롤
영어명: 5-Methoxy-3,4-dihydro-2H-pyrrole
분자식: C5H9NO
분자량: 99.13

이름 및 동의어

2-Methoxy-1-pyrrolineRefChem:474151671-815-25-methoxy-3,4-dihydro-2H-pyrrole5264-35-72H-Pyrrole, 3,4-dihydro-5-methoxy-MFCD01821272O-methylbutyrolactimNSC601819DTXSID90326564AKOS000269287NSC-601819

이름 더 보기

5-메톡시-3,4-디하이드로-2H-피롤3,4-dihydro-5-methoxy-2H-Pyrrolec-C4H6N(2-OCH3)2-methoxypyrroleAKOS BBS-00007016Tipiracil Impurity 16Piracetam EP Impurity 54,5-Dihydro-2-methoxy-3H-pyrrole

O11464F1905-7237Z1476417342-Methoxy-1-pyrroline stabilized with Potassium hydroxide2-methoxy-4,5-dihydro-3H-pyrrole2-Methoxy-1-pyrrolidineFT-0645438FT-0747173

데이터베이스 식별자

CAS: 5264-35-7
PubChem CID: 353443
DTXSID: DTXSID90326564
EC Number: 671-815-2
Nikkaji: J877.149I

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 21.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 88.1

물리화학적 성질

끓는 점: 118 · 118-121 °C
밀도: 1.05 · 1.05±0.1 g/cm3(Predicted)
굴절률: 1.4375 · 1.4375
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 6.29 · 6.29±0.20(Predicted)
InChI: InChI=1S/C5H9NO/c1-7-5-3-2-4-6-5/h2-4H2,1H3
InChIKey: QYGNDKJRRNVSEC-UHFFFAOYSA-N
SMILES: N1=C(OC)CCC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 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. 3 (33.3%)

안전 데이터

위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도2-Methoxy-1-pyrroline acts as a reagent in the design and preparation of dihydroindolones and dihydroindolizinones as orally available MEK inhibitors with potent in vivo antitumor efficacy. Synthesis and anti-HSV activity of methylenedioxy mappicine ketone analogs against herpes viruses.