기본 정보
- CAS
68957-58-4- 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.[I-]- InChIKey
ISWKWKSVIRGKHB-UHFFFAOYSA-M- 분자식
- C12H16F13N2O2S.I
- 평균 분자량
- 626.22 g/mol
- 단동위원소 질량
- 625.97696
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)-, iodide (1:1)
- IUPAC
- trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium iodide
- 현지명
- N,N,N-트리메틸-3-(((트리데카플루오로헥실)설포닐)아미노)-1- 프로판아미늄 요오드화물
- 영어명
- trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium iodide
- 분자식
- C12H16F13IN2O2S
- 분자량
- 626.22
이름 및 동의어
EINECS 273-350-73-(((Tridecafluorohexyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide1-Propanaminium, N,N,N-trimethyl-3-(((tridecafluorohexyl)sulfonyl)amino)-, iodide1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, iodide1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, iodide (1:1)1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, iodide (1:1)RefChem:4360471-Propanaminium, N,N,N-trimethyl-3-(tridecafluorohexyl)sulfonylamino-, iodide68957-58-4Trimethyl-3-(((tridecafluorohexyl)sulphonyl)amino)propylammonium iodide1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, iodideSCHEMBL28682719
이름 더 보기
N,N,N-트리메틸-3-(((트리데카플루오로헥실)설포닐)아미노)-1-프로판아미늄요오드화물N,N,N-트리메틸-3-(((트리데카플루오로헥실)설포닐)아미노)-1-프로판아미늄요오드화물(N,N,N-TR...트리메틸-3-[[(트리데카플루오로헥실)술포닐]아미노]프로필암모늄요오다이드fluoroalkyl quaternary ammonium iodide (C6)Trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]propylammonium iodidetrimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium iodiden,n,n-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-1-propanaminiu iodi3-[[(Tridecafluorohexyl)sulfonyl]amino]-N,N,N-trimethyl-1-propanaminium iodideN,N,N-TRIMETHYL-3-(((TRIDECAFLUOROHEXYL)SULFONYL)AMINO)-1- PROPANAMINIUM IODIDE)
DTXSID90880939NS000915983-((Perfluorohexylsulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodideN,N,N-Trimethyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamido)propan-1-aminium iodide
데이터베이스 식별자
- CAS
68957-58-4- PubChem CID
- 111909
- DTXSID
DTXSID90880939- EC Number
- 273-350-7
물성
구조 계산 물성
- 극성 표면적
- 54.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 705
실험 및 물리화학적 성질
PFAS
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> non-polymer
물리화학적 성질
- EPA
- 1 · 1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, iodide (68957-58-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: 1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, iodide
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium iodide
1-Propanaminium, N,N,N-trimethyl-3-(tridecafluorohexyl)sulfonylamino-, iodide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Indirect precusors of perfluoroalkane sulfonic acids (PFSA) (C5-C7): Human health tier II assessment
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-34692
화학 및 산업
용도 및 제조
Uses
• Cleaning and desifection [Ref: https://doi.org/10.1007/978-3-642-21872-9]
non-polymer PFAS -> Cleaning compositions -> Cleaning compositions in general
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]-, iodide (1:1): ACTIVE
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