메틸2,5-다이메틸피롤-3-카르복실레이트

Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

HCID 592729

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 69687-80-5
표준 SMILES: COC(=O)c1cc(C)[nH]c1C
InChIKey: OQWZEJIISPYZPW-UHFFFAOYSA-N
분자식: C8H11NO2
평균 분자량: 153.18 g/mol
단동위원소 질량: 153.07897859

개요

Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate is a member of pyrroles.

이름 및 식별자

우선 이름: Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
IUPAC: methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
현지명: 메틸2,5-다이메틸피롤-3-카르복실레이트
영어명: METHYL 2,5-DIMETHYLPYRROLE-3-CARBOXYLATE
분자식: C8H11NO2
분자량: 153.18

이름 및 동의어

Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate69687-80-5DTXSID70343855RefChem:353682DTXCID50294932METHYL 2,5-DIMETHYLPYRROLE-3-CARBOXYLATEMFCD002038591H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-, methyl esterMaybridge1_008495SCHEMBL78402orb3030510HMS565K03

이름 더 보기

메틸2,5-다이메틸피롤-3-카르복실레이트2,5-Dimethyl-3-(methoxycarbonyl)-1H-pyrroleMethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate, 95+%2,5-dimethylpyridine-3-carboxylic acidmethyl ester2,5-DIMETHYLPYRROLE-3-CARBOXYLIC ACID METHYL ESTERMethyl 2,5-Dimethyl-1H-Pyrrole-3-Carboxylate(WXC04289)2,5-Dimethyl-1H-pyrrole-3-carboxylic acid methyl ester1H-Pyrrole-3-carboxylicacid,2,5-dimethyl-,methylester(9CI)

CHEBI:183474Fr13771CCG-41625SBB086922AKOS006229774SB621242,5-dimethyl,4-(carbomethoxy) pyrroleAS-40808

데이터베이스 식별자

CAS: 69687-80-5
PubChem CID: 592729
DTXSID: DTXSID70343855
ChEBI: CHEBI:183474
Nikkaji: J121.880H

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 42.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 115 °C · 115 °C
끓는 점: 294 ℃ · 294℃
밀도: 1.108 · 1.108
인화점: 132 ℃ · 132℃
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 16.87 · 16.87±0.50(Predicted)

안전 및 규제

안전 데이터

HS 번호: 2933998090
risk_code: 36/37/38
safety_code: 26-37

화학 및 산업

공급사45 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

斯芬克司药物研发（天津）股份有限公司022-66211289-818 13652044576 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

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

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

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