기본 정보
- CAS
157327-42-9- 표준 SMILES
CN(C)C=C1CN(C(=O)OC(C)(C)C)CC1=O- InChIKey
NICVZJAVRBPUME-UHFFFAOYSA-N- 분자식
- C12H20N2O3
- 평균 분자량
- 240.3 g/mol
- 단동위원소 질량
- 240.1473925
이름 및 식별자
- 우선 이름
- tert-Butyl 3-[(dimethylamino)methylidene]-4-oxopyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-(dimethylaminomethylidene)-4-oxopyrrolidine-1-carboxylate
- 현지명
- (E)-TERT-부틸3-((디메틸아미노)메틸렌)-4-옥소피롤리딘-1-카르복실레이트
- 영어명
- (E)-tert-Butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate
- 분자식
- C12H20N2O3
- 분자량
- 240.3
이름 및 동의어
157327-42-9TERT-BUTYL 3-((DIMETHYLAMINO)METHYLENE)-4-OXOPYRROLIDINE-1-CARBOXYLATEtert-Butyl 3-[(dimethylamino)methylidene]-4-oxopyrrolidine-1-carboxylatetert-butyl (3E)-3-(dimethylaminomethylidene)-4-oxopyrrolidine-1-carboxylatetert-Butyl3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylatetert-butyl (Z)-3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylateSCHEMBL1528547tert-butyl (3Z)-3-(dimethylaminomethylidene)-4-oxopyrrolidine-1-carboxylatetert-Butyl 3-[(dimethylamino)methylene]-4-oxopyrrolidine-1-carboxylateDTXSID20697017NICVZJAVRBPUME-UHFFFAOYSA-Ntert-butyl 3-(dimethylaminomethylidene)-4-oxopyrrolidine-1-carboxylate
이름 더 보기
(E)-TERT-부틸3-((디메틸아미노)메틸렌)-4-옥소피롤리딘-1-카르복실레이트tert-Butyl 3-((dimethylamino)methylene)-4-oxo...1-Boc-3-((dimethylamino)methylene)-4-oxopyrrolidine3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylatetert-butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-c...(E)-tert-Butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate3-DiMethylaMinoMethylene-4-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester3-(diMethylaMinoMethylidene)-4-oxo-1-pyrrolidinecarboxylic acid tert-butyl ester1-Pyrrolidinecarboxylic acid, 3-[(dimethylamino)methylene]-4-oxo-, 1,1-dimethylethyl ester
AKOS028114894CS-W0000043-[1-dimethylamino-methylidene]-4-oxo-pyrrolidine-1-carboxylic acid tert-butyl esterDB-012902tert-butyl 3-((di-methyl-amino)methylene)-4-oxopyrrolidine-1-carboxylatetert-butyl 3-(dimethylaminomethylene)-4-oxo-pyrrolidine-1-carboxylate1-?Pyrrolidinecarboxyli?c acid, 3-?[(dimethylamino)?methylene]?-?4-?oxo-?, 1,?1-?dimethylethyl ester
데이터베이스 식별자
- CAS
157327-42-9- PubChem CID
- 53415260
- DTXSID
DTXSID20697017
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 49.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 353
물리화학적 성질
- 끓는 점
- 341 · 341.0±42.0 °C(Predicted)
- 밀도
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 5.25 · 5.25±0.20(Predicted)
안전 및 규제
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
상·하류 제품 정보
상류 원료
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