기본 정보
- CAS
70248-52-1- 표준 SMILES
C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])[O-]- InChIKey
YBMZDDVMZMNFRI-UHFFFAOYSA-L- 분자식
- C24H32F26N4O8S3
- 평균 분자량
- 1,094.7 g/mol
- 단동위원소 질량
- 1,094.0967097
이름 및 식별자
- 우선 이름
- 1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, sulfate (2:1)
- IUPAC
- bis(trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium);sulfate
- 현지명
- 비스[트리메틸-3-[[(트리데카플루오로헥실)술포닐]아미노]프로필암모늄]황산염
- 영어명
- bis[trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium] sulphate
- 분자식
- C12H16F13N2O6S2-
- 분자량
- 595.37
이름 및 동의어
70248-52-1EINECS 274-515-63-(((Tridecafluorohexyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium sulfate (2:1)1-Propanaminium, N,N,N-trimethyl-3-(((tridecafluorohexyl)sulfonyl)amino)-, sulfate (2:1)1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, sulfate (2:1)1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1)1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1)RefChem:436048Bis[trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium] sulphateBis(trimethyl-3-(((tridecafluorohexyl)sulphonyl)amino)propylammonium) sulphateDTXSID5072060YBMZDDVMZMNFRI-UHFFFAOYSA-L
이름 더 보기
비스[트리메틸-3-[[(트리데카플루오로헥실)술포닐]아미노]프로필암모늄]황산염Bis[trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]propylammonium] sulfatetrimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium
물성
구조 계산 물성
- 극성 표면적
- 198 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 36
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 767
실험 및 물리화학적 성질
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
물리화학적 성질
- EPA
- 1 · 1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1) (70248-52-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Bis[trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium] sulphate
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1): INACTIVE
관련 반응
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