기본 정보
- CAS
68555-81-7- 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)C(F)(F)F.[Cl-]- InChIKey
DEWPQMPVQKTNFF-UHFFFAOYSA-M- 분자식
- C13H16F15N2O2S.Cl
- 평균 분자량
- 584.77 g/mol
- 단동위원소 질량
- 584.0381491
이름 및 식별자
- 우선 이름
- 1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl]amino]-, chloride (1:1)
- IUPAC
- trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]azanium chloride
- 현지명
- 트리메틸-3-[[(펜타데카플루오로헵틸)술포닐]아미노]프로필암모늄염화물
- 영어명
- trimethyl-3-[[(pentadecafluoroheptyl)sulphonyl]amino]propylammonium chloride
- 분자식
- C13H16ClF15N2O2S
- 분자량
- 584.77
이름 및 동의어
68555-81-7Trimethyl-3-(((pentadecafluoroheptyl)sulphonyl)amino)propylammonium chlorideEINECS 271-459-4DTXSID308806153-(((Pentadecafluoroheptyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium chlorideTRIMETHYL-3-[[(PENTADECAFLUOROHEPTYL)SULPHONYL]AMINO]PROPYLAMMONIUM CHLORIDE1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl)amino)-, chloride (1:1)1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl]amino]-, chloride (1:1)RefChem:77096DTXCID701021989271-459-41-Propanaminium, N,N,N-trimethyl-3-(((pentadecafluoroheptyl)sulfonyl)amino)-, chloride
이름 더 보기
트리메틸-3-[[(펜타데카플루오로헵틸)술포닐]아미노]프로필암모늄염화물fluoroalkyl quaternary ammonium chloride (C7)1-Propanaminium, N,N,N-trimethyl-3-(pentadecafluoroheptyl)sulfonylamino-, chloridetrimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]azanium
물성
구조 계산 물성
- 극성 표면적
- 54.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 794
실험 및 물리화학적 성질
PFAS
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
PFAS -> OECD Category
물리화학적 성질
- EPA
- 1 · 1-Propanaminium, N,N,N-trimethyl-3-[[(pentadecafluoroheptyl)sulfonyl]amino]-, chloride (68555-81-7)
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-[[(pentadecafluoroheptyl)sulfonyl]amino]-, chloride
S - indicates a substance that is identified in a final Significant New Use Rule.
1-Propanaminium, N,N,N-trimethyl-3-(pentadecafluoroheptyl)sulfonylamino-, chloride: 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 precursors to perfluoroalkyl sulfonates: Environment tier II assessment
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-34627
화학 및 산업
용도 및 제조
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl]amino]-, chloride (1:1): ACTIVE
관련 반응
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