(Dimethylamino)((2,5-dioxopyrrolidin-1-yl)oxy)-N,N-dimethylmethaniminium hexafluorophosphate

HCID 16211151

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 265651-18-1
표준 SMILES: CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIKey: STWZCCVNXFLDDD-UHFFFAOYSA-N
분자식: C9H16F6N3O3P
평균 분자량: 359.21 g/mol
단동위원소 질량: 359.08334735

개요

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이름 및 식별자

우선 이름: (Dimethylamino)((2,5-dioxopyrrolidin-1-yl)oxy)-N,N-dimethylmethaniminium hexafluorophosphate
IUPAC: [dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium hexafluorophosphate
영어명: N,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphate
분자식: C9H16F6N3O3P
분자량: 359.21

이름 및 동의어

DTXSID90583377(Dimethylamino)((2,5-dioxopyrrolidin-1-yl)oxy)-N,N-dimethylmethaniminium hexafluorophosphate(Dimethylamino)[(2,5-dioxopyrrolidin-1-yl)oxy]-N,N-dimethylmethaniminium hexafluorophosphateRefChem:1050855DTXCID90534142265651-18-1HSTUN,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphateMFCD01863753o-(n-succinimidyl)-1,1,3,3-tetramethyluronium hexafluorophosphateO-(N-Succinimidyl)-N,N,N',N'-tetramethyluronium hexafluorophosphateMethanaminium, (dimethylamino)[(2,5-dioxo-1-pyrrolidinyl)oxy]dimethyl-, hexafluorophosphate(1-) (1:1)

이름 더 보기

REF DUPL: HSTUO-(N-Succinimidyl)-1O-(N-SUCCINIMIDYL)-N,N,N',N'-TETRA-O-(N-Succinimidyl)-N,N,N',N'-tetramethyluroniumheN,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium heo-(n-succinimidyl)-n,n,n',n'-tetra-methyluroniumpf6-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphate2-SUCCINIMIDO-1,1,3,3-TETRAMETHYLURONIM HEXAFLUOROPHOSPHATE2-SUCCINIMIDO-1,1,3,3-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE

O-(N-Succinimidyl-1,1,3,3-tetramethyluronium hexafluorophosphateO-(N-Succinimidyl)-N,N,N',N'-tetramethyl uronium hexafluoro phosphate[dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium;hexafluorophosphateC9H16F6N3O3PHSTU [N,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphate]SCHEMBL21066160STWZCCVNXFLDDD-UHFFFAOYSA-NN,N,N',N'-Tetramethyl-O-(N-succinimidyl)uroniumHexafluorophosphate

데이터베이스 식별자

CAS: 265651-18-1
PubChem CID: 16211151
DTXSID: DTXSID90583377

물성

구조 계산 물성

극성 표면적: 52.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 10
회전 가능 결합 수: 3
무거운 원자 수: 22
형식 전하: 0
복잡도: 352

물리화학적 성질

녹는점: 218 · 218-221°C
저장 조건: -20 °C · -20°C
용해도: 0.5 g/mL에 · 아세토니트릴 0.5g/mL에 용해됩니다.
물리적 상태: 분말 또는 결정성 분말
색상: 흰색에서 황백색까지
주요 응용: 펩타이드 합성
InChI: InChI=1S/C9H16N3O3.F6P/c1-10(2)9(11(3)4)15-12-7(13)5-6-8(12)14;1-7(2,3,4,5)6/h5-6H2,1-4H3;/q+1;-1
InChIKey: STWZCCVNXFLDDD-UHFFFAOYSA-N
SMILES: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].O(N1C(CCC1=O)=O)/C(=[N+](\C)/C)/N(C)C

화학적 성질

White to off-white crystalline powder

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29280000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-60-37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Coupling reagent for peptide synthesis and the formation of other amides. Yield in aqueous solution is excellent too.

일반 설명N,N,N′,N′-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphate can be used to prepare N-succinimidyl 4-[18F]fluorobenzoate ([18F]-SFB), a prosthetic group for the fluorination of biomolecules for PET imaging.