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기본 정보
- CAS
58610-66-5- 표준 SMILES
CCOC(=O)C(CC)c1cc2n(c(=O)c1C#N)CCC21OCCO1- InChIKey
GTFGMFHOVANJCE-UHFFFAOYSA-N- 분자식
- C17H20N2O5
- 평균 분자량
- 332.356 g/mol
- 단동위원소 질량
- 332.13722174
이름 및 식별자
- 우선 이름
- Ethyl 6′-cyano-α-ethyl-2′,3′-dihydro-5′-oxospiro[1,3-dioxolane-2,1′(5′H)-indolizine]-7′-acetate
- IUPAC
- Ethyl 2-(6'-cyano-5'-oxo-2',3'-dihydro-5'H-spiro[[1,3]dioxolane-2,1'-indolizin]-7'-yl)butanoate
- 영어명
- Spiro[1,3-dioxolane-2,1'(5'H)-indolizine]-7'-acetic acid, 6'-cyano-α-ethyl-2',3'-dihydro-5'-oxo-, ethyl ester
- 분자식
- C17H20N2O5
- 분자량
- 332.36
이름 및 동의어
Ethyl 2-(6-cyano-5-oxo-2,3-dihydro-5H-spiro[indolizine-1,2'-[1,3]dioxolan]-7-yl)butanoateEthyl 2-(6'-cyano-5'-oxo-2',3'-dihydro-5'H-spiro[1,3-dioxolane-2,1'-indolizin]-7'-yl)butanoateEthyl 6′-cyano-α-ethyl-2′,3′-dihydro-5′-oxospiro[1,3-dioxolane-2,1′(5′H)-indolizine]-7′-acetateethyl 2-(6'-cyano-5'-oxo-3',5'-dihydro-2'H-spiro[[1,3]dioxolane-2,1'-indolizin]-7'-yl)butanoateSpiro[1,3-dioxolane-2,1'(5'H)-indolizine]-7'-acetic acid, 6'-cyano-α-ethyl-2',3'-dihydro-5'-oxo-, ethyl esterSpiro[1,3-dioxolane-2,1'(5'H)-indolizine]-7'-acetamide, α-ethyl-2',3'-dihydro-4-hydroxy-6'-(hydroxymethyl)-5'-oxo-N-(1-phenylethyl)-, [S-(R*,S*)]- (9CI)
데이터베이스 식별자
- CAS
58610-66-5- PubChem CID
- 363894
- DTXSID
DTXSID401117581- Nikkaji
- J2.666.146C
물성
물리화학적 성질
- 끓는 점
- 552.5 · 552.5±50.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.84 · -3.84±0.60(Predicted)
- InChI
- InChI=1S/C17H20N2O5/c1-3-11(16(21)22-4-2)12-9-14-17(23-7-8-24-17)5-6-19(14)15(20)13(12)10-18/h9,11H,3-8H2,1-2H3
- InChIKey
- GTFGMFHOVANJCE-UHFFFAOYSA-N
- SMILES
- O=C1C(=C(C(CC)C(=O)OCC)C=C2C3(OCCO3)CCN12)C#N
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
공급사17 곳
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