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소디오(2-히드록시에틸)[3-[(2-히드록시-3-술포나토프로필)[(트리데카플루오로헥실)술포닐]아미노]프로필]디메틸암모늄하이드록사이드

1-Propanaminium, N-(2-hydroxyethyl)-3-((2-hydroxy-3-sulfopropyl)((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-N,N-dimethyl-, hydroxide, sodium salt (1:1:1)

HCID 174225
새 노트새 반응견적 요청하기인쇄 미리보기
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
81190-38-7
표준 SMILES
C[N+](C)(CCO)CCCN(CC(O)CS(=O)(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+].[OH-]
InChIKey
UUJYCTIQEWIWAQ-UHFFFAOYSA-M
분자식
C16H24F13N2NaO8S2
평균 분자량
706.5 g/mol
단동위원소 질량
706.0664185

이름 및 식별자

우선 이름
1-Propanaminium, N-(2-hydroxyethyl)-3-((2-hydroxy-3-sulfopropyl)((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-N,N-dimethyl-, hydroxide, sodium salt (1:1:1)
IUPAC
sodium;2-hydroxy-3-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propane-1-sulfonate;hydroxide
현지명
소디오(2-히드록시에틸)[3-[(2-히드록시-3-술포나토프로필)[(트리데카플루오로헥실)술포닐]아미노]프로필]디메틸암모늄하이드록사이드
영어명
sodio(2-hydroxyethyl)[3-[(2-hydroxy-3-sulphonatopropyl)[(tridecafluorohexyl)sulphonyl]amino]propyl]dimethylammonium hydroxide
분자식
C16H22F13N2NaO8S2
분자량
704.4534916

이름 및 동의어

EINECS 279-703-11-Propanaminium, N-(2-hydroxyethyl)-3-((2-hydroxy-3-sulfopropyl)((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-N,N-dimethyl-, hydroxide, sodium salt (1:1:1)N,N-Dimethyl-N-(2-hydroxyethyl)-3-((2-hydroxy-3-sulfopropyl)((tridecafluorohexyl)sulfonyl)amino)propanaminium hydroxide, sodium salt1-Propanaminium, N-(2-hydroxyethyl)-3-((2-hydroxy-3-sulfopropyl)((tridecafluorohexyl)sulfonyl)amino)-N,N-dimethyl-, hydroxide, monosodium salt1-Propanaminium, N-(2-hydroxyethyl)-3-[(2-hydroxy-3-sulfopropyl)[(tridecafluorohexyl)sulfonyl]amino]-N,N-dimethyl-, hydroxide, monosodium salt1-Propanaminium, N-(2-hydroxyethyl)-3-[(2-hydroxy-3-sulfopropyl)[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-N,N-dimethyl-, hydroxide, sodium salt (1:1:1)RefChem:43609381190-38-7Sodio(2-hydroxyethyl)(3-((2-hydroxy-3-sulphonatopropyl)((tridecafluorohexyl)sulphonyl)amino)propyl)dimethylammonium hydroxideDTXSID20880987N,N-Dimethyl-N-(2-hydroxyethyl)-3-((2-hydroxy-3-sulfopropyl)((perfluorohexyl)sulfonyl)amino)propanaminium hydroxide sodiumSodium hydroxide--2-hydroxy-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-{3-[(2-hydroxyethyl)di(methyl)azaniumyl]propyl}hexane-1-sulfonamido)propane-1-sulfonate (1/1/1)
이름 더 보기
소디오(2-히드록시에틸)[3-[(2-히드록시-3-술포나토프로필)[(트리데카플루오로헥실)술포닐]아미노]프로필]디메틸암모늄하이드록사이드sodio(2-hydroxyethyl)[3-[(2-hydroxy-3-sulphonatopropyl)[(tridecafluorohexyl)sulphonyl]amino]propyl]dimethylammonium hydroxide

데이터베이스 식별자

CAS
81190-38-7
PubChem CID
174225
DTXSID
DTXSID20880987
EC Number
279-703-1

물성

구조 계산 물성

극성 표면적
153 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
22
회전 가능 결합 수
15
무거운 원자 수
42
형식 전하
0
복잡도
1,060

실험 및 물리화학적 성질

PFAS · 4건

PFAS -> OECD Category

PFAS -> non-polymer

PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances

PFAS -> Other/unspecified

물리화학적 성질

EPA
1 · 1-Propanaminium, N-(2-hydroxyethyl)-3-[(2-hydroxy-3-sulfopropyl)[(tridecafluorohexyl)sulfonyl]amino]-N,N-dimethyl-, hydroxide, monosodium salt (81190-38-7)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Regulatory Information · 3건

Chemical: 1-Propanaminium, N-(2-hydroxyethyl)-3-[(2-hydroxy-3-sulfopropyl)[(tridecafluorohexyl)sulfonyl]amino]-N,N-dimethyl-, hydroxide, monosodium salt

S - indicates a substance that is identified in a final Significant New Use Rule.

Substance: Sodio(2-hydroxyethyl)[3-[(2-hydroxy-3-sulphonatopropyl)[(tridecafluorohexyl)sulphonyl]amino]propyl]dimethylammonium hydroxide

Other Safety InformationIMAP assessments - Indirect precusors of perfluoroalkane sulfonic acids (PFSA) (C5-C7): Human health tier II assessment

안전 데이터

tsca
TSCA listed

화학 및 산업

용도 및 제조

Uses · 2건

non-polymer PFAS -> Electroplating -> Copper plating

• Chrome plating [Ref: Norwegian Environment Agency. 2018. Investigation of Sources to PFHxS in the Environment (M-961).]

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Propanaminium, N-(2-hydroxyethyl)-3-[(2-hydroxy-3-sulfopropyl)[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-N,N-dimethyl-, hydroxide, sodium salt (1:1:1): INACTIVE

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