3-(2-에톡시카보닐-에틸)-5-메틸-1H-피롤-2-카복실산에틸에스테르
Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate
기본 정보
- CAS
40515-75-1- 표준 SMILES
CCOC(=O)CCc1cc(C)[nH]c1C(=O)OCC- InChIKey
OTGFBIQHQGYXLE-UHFFFAOYSA-N- 분자식
- C13H19NO4
- 평균 분자량
- 253.29 g/mol
- 단동위원소 질량
- 253.13140809
이름 및 식별자
- 우선 이름
- Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate
- IUPAC
- ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate
- 현지명
- 3-(2-에톡시카보닐-에틸)-5-메틸-1H-피롤-2-카복실산에틸에스테르
- 영어명
- 3-(2-ETHOXYCARBONYL-ETHYL)-5-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
- 분자식
- C13H19NO4
- 분자량
- 253.29
이름 및 동의어
40515-75-1ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester1H-Pyrrole-3-propanoicacid, 2-(ethoxycarbonyl)-5-methyl-, ethyl esterethyl 3-[2-(ethoxycarbonyl)ethyl]-5-methylpyrrole-2-carboxylateNSC157284SCHEMBL11646638DTXSID40303188AKOS025402225AC-6616NSC-157284ethyl 3-(2-ethoxycarbonyl-ethyl) -5-methylpyrrole-2-carboxylate
이름 더 보기
3-(2-에톡시카보닐-에틸)-5-메틸-1H-피롤-2-카복실산에틸에스테르3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2-Ethyl 3-[2-(ethoxycarbonyl)ethyl]-5-methylpyrrole-2-carboxylate 98%1H-Pyrrole-3-propanoic acid, 2-(ethoxycarbonyl)-5-methyl-, ethyl ester2-(Ethoxycarbonyl)-3-[2-(ethoxycarbonyl)ethyl]-5-methyl-1H-pyrrole, Ethyl 3-[2-(ethoxycarbonyl)-5-methyl-1H-pyrrol-3-yl]propanoate
ethyl 3-(2-ethoxycarbonyl-ethyl)-5-methyl-pyrrole-2-carboxylateEthyl 3-[2-(ethoxycarbonyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylateEthyl 3-[2-(ethoxycarbonyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylate 98%
데이터베이스 식별자
- CAS
40515-75-1- PubChem CID
- 291755
- DTXSID
DTXSID40303188
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 68.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 293
물리화학적 성질
- 녹는점
- 67 · 67-67.5
- 끓는 점
- 386.2 · 386.2±42.0 °C(Predicted)
- 밀도
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 16.1 · 16.10±0.50(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2933998090
- hazard_code
- Xi
- 위험 참고 사항
- Irritant
관련 반응
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