기본 정보
- CAS
68298-75-9- 표준 SMILES
C=C(C)C(=O)OCC(C)OC(=O)Nc1cc(NC(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1C- InChIKey
OBPWLOPGKWGMTO-UHFFFAOYSA-N- 분자식
- C25H28F11N3O8S
- 평균 분자량
- 739.6 g/mol
- 단동위원소 질량
- 739.1421458
이름 및 식별자
- 우선 이름
- 2-((((5-(((2-(Ethyl((undecafluoropentyl)sulphonyl)amino)ethoxy)carbonyl)amino)-2-methylphenyl)amino)carbonyl)oxy)propyl methacrylate
- IUPAC
- 2-[[5-[2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]ethoxycarbonylamino]-2-methylphenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
- 현지명
- 2-[[[[5-[[[2-[에틸[(운데카플루오로펜틸)술포닐]아미노]에톡시]카르보닐]아미노]-2-메틸페닐]아미노]카르보닐]옥시]프로필메타크릴레이트
- 영어명
- 2-[[[[5-[[[2-[ethyl[(undecafluoropentyl)sulphonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl methacrylate
- 분자식
- C25H28F11N3O8S
- 분자량
- 739.55
이름 및 동의어
68298-75-92-Propenoic acid, 2-methyl-, 2-[[[[5-[[[2-[ethyl[(undecafluoropentyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl esterEINECS 269-580-22-((((5-(((2-(Ethyl((undecafluoropentyl)sulphonyl)amino)ethoxy)carbonyl)amino)-2-methylphenyl)amino)carbonyl)oxy)propyl methacrylateDTXSID80880605OBPWLOPGKWGMTO-UHFFFAOYSA-NNS000192052-({[5-({[2-(N-Ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamido)ethoxy]carbonyl}amino)-2-methylphenyl]carbamoyl}oxy)propyl 2-methylprop-2-enoate2-[[[[5-[[[2-[에틸[(운데카플루오로펜틸)술포닐]아미노]에톡시]카르보닐]아미노]-2-메틸페닐]아미노]카르보닐]옥시]프로필메타크릴레이트2-[[[[5-[[[2-[ethyl[(undecafluoropentyl)sulphonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl methacrylate2-Methylpropenoic acid 2-[[[[5-[[[2-[ethyl[(undecafluoropentyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl ester2-[[5-[2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]ethoxycarbonylamino]-2-methylphenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,280
실험 및 물리화학적 성질
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
물리화학적 성질
- EPA
- 2 · 2-Propenoic acid, 2-methyl-, 2-[[[[5-[[[2-[ethyl[(undecafluoropentyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl ester (68298-75-9)
화학 및 산업
용도 및 제조
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
관련 반응
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