기본 정보
- CAS
23779-94-4- 표준 SMILES
CCOC(=O)C(=CNc1ccccc1C(F)(F)F)C(=O)OCC- InChIKey
WYFXGNBPATUXFG-UHFFFAOYSA-N- 분자식
- C15H16F3NO4
- 평균 분자량
- 331.29 g/mol
- 단동위원소 질량
- 331.10314265
이름 및 식별자
- 우선 이름
- Diethyl 2-{[2-(trifluoromethyl)anilino]methylene}malonate
- IUPAC
- diethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioate
- 현지명
- 2-((2-트리플루오로메틸페닐아미노)메틸렌)말론산디에틸에스테르
- 영어명
- 2-((2-TRIFLUOROMETHYLPHENYLAMINO)METHYLENE)MALONIC ACID DIETHYL ESTER
- 분자식
- C15H16F3NO4
- 분자량
- 331.29
이름 및 동의어
23779-94-4diethyl 2-{[2-(trifluoromethyl)anilino]methylene}malonatediethyl 2-[[2-(trifluoromethyl)anilino]methylidene]propanedioateDiethyl 2-(((2-(trifluoromethyl)phenyl)amino)methylene)malonateMFCD001733686J-002Propanedioic acid,2-[[[2-(trifluoromethyl)phenyl]amino]methylene]-, 1,3-diethyl esterDiethyl 2-({[2-(trifluoromethyl)phenyl]amino}methylene)malonateDiethyl 2-{[2-(trifluoromethyl)anilino]methylidene}propanedioateSCHEMBL1124285DTXSID80389300AKOS000613149
이름 더 보기
2-((2-트리플루오로메틸페닐아미노)메틸렌)말론산디에틸에스테르2-((2-TRIFLUOROMETHYLPHENYLAMINO)METHYLENE)MALONIC ACID DIETHYL ESTERPropanedioic acid, 2-[[[2-(trifluoromethyl)phenyl]amino]methylene]-, 1,3-diethyl ester
ST50229720SR-01000312913SR-01000312913-1Diethyl {[2-(trifluoromethyl)anilino]methylidene}propanedioatediethyl 2-[[2-(trifluoromethyl)anilino]methylene]propanedioateDiethyl2-(((2-(trifluoromethyl)phenyl)amino)methylene)malonate1,3-diethyl 2-({[2-(trifluoromethyl)phenyl]amino}methylidene)propanedioatediethyl 2-({[2-(trifluoromethyl)phenyl]amino}methylene)propane-1,3-dioate
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 64.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 428
물리화학적 성질
- 녹는점
- 84 · 84-85 °C(Solv: ethanol (64-17-5))
- 끓는 점
- 344.2 · 344.2±42.0 °C(Predicted)
- 밀도
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.09 · -3.09±0.70(Predicted)
화학 및 산업
공급사3 곳
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
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