N'-[2-[[(헵타데카플루오로옥틸)술포닐]메틸아미노]에틸]-N-[2-[[(헵타데카플루오로옥틸)술포닐]프로필아미노]에틸]-4-메틸-1,3-벤젠디카르복사미드
1,3-Benzenedicarboxamide, N3-[2-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]methylamino]ethyl]-N1-[2-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]propylamino]ethyl]-4-methyl-
기본 정보
- CAS
73019-20-2- 표준 SMILES
CCCN(CCNC(=O)c1ccc(C)c(C(=O)NCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
TZGYROAPHGJQIG-UHFFFAOYSA-N- 분자식
- C33H26F34N4O6S2
- 평균 분자량
- 1,284.7 g/mol
- 단동위원소 질량
- 1,284.0750844
이름 및 식별자
- 우선 이름
- 1,3-Benzenedicarboxamide, N3-[2-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]methylamino]ethyl]-N1-[2-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]propylamino]ethyl]-4-methyl-
- IUPAC
- 3-N-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]ethyl]-1-N-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethyl]-4-methylbenzene-1,3-dicarboxamide
- 현지명
- N'-[2-[[(헵타데카플루오로옥틸)술포닐]메틸아미노]에틸]-N-[2-[[(헵타데카플루오로옥틸)술포닐]프로필아미노]에틸]-4-메틸-1,3-벤젠디카르복사미드
- 영어명
- N'-[2-[[(Heptadecafluorooctyl)sulfonyl]methylamino]ethyl]-N-[2-[[(heptadecafluorooctyl)sulfonyl]propylamino]ethyl]-4-methyl-1,3-benzenedicarboxamide
- 분자식
- C33H26F34N4O6S2
- 분자량
- 1284.67
이름 및 동의어
1,3-Benzenedicarboxamide, N3-(2-(((heptadecafluorooctyl)sulfonyl)methylamino)ethyl)-N1-(2-(((heptadecafluorooctyl)sulfonyl)propylamino)ethyl)-4-methyl-1,3-Benzenedicarboxamide, N3-(2-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)methylamino)ethyl)-N1-(2-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)propylamino)ethyl)-4-methyl-1,3-Benzenedicarboxamide, N3-[2-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]methylamino]ethyl]-N1-[2-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]propylamino]ethyl]-4-methyl-1,3-Benzenedicarboxamide, N3-[2-[[(heptadecafluorooctyl)sulfonyl]methylamino]ethyl]-N1-[2-[[(heptadecafluorooctyl)sulfonyl]propylamino]ethyl]-4-methyl-RefChem:41290073019-20-2N3-(2-(((heptadecafluorooctyl)sulfonyl)methylamino)ethyl)-N1-(2-(((heptadecafluorooctyl)sulfonyl)propylamino)ethyl)-4-methyl-1,3-benzenedicarboxamide
물성
구조 계산 물성
- XLogP
- 12.1
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 42
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 79
- 형식 전하
- 0
- 복잡도
- 2,400
실험 및 물리화학적 성질
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
물리화학적 성질
- EPA
- 1 · 1,3-Benzenedicarboxamide, N3-[2-[[(heptadecafluorooctyl)sulfonyl]methylamino]ethyl]-N1-[2-[[(heptadecafluorooctyl)sulfonyl]propylamino]ethyl]-4-methyl- (73019-20-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1,3-Benzenedicarboxamide, N3-[2-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]methylamino]ethyl]-N1-[2-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]propylamino]ethyl]-4-methyl-: INACTIVE
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