2-(2,5-Dioxopyrrolidin-1-yl)-1,1,3,3-tetramethylisouronium tetrafluoroborate

HCID 9857522CAS 105832-38-0

기본 정보

표준 SMILES: CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C.F[B-](F)(F)F
InChIKey: YEBLHMRPZHNTEK-UHFFFAOYSA-N
분자식: C9H16BF4N3O3
평균 분자량: 301.05 g/mol
단동위원소 질량: 301.12208465

이름 및 식별자

우선 이름: 2-(2,5-Dioxopyrrolidin-1-yl)-1,1,3,3-tetramethylisouronium tetrafluoroborate
IUPAC: [dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium tetrafluoroborate
영어명: TSTU
분자식: C9H16BF4N3O3
분자량: 301.05

이름 및 동의어

105832-38-02-(2,5-Dioxopyrrolidin-1-yl)-1,1,3,3-tetramethylisouronium tetrafluoroborateRefChem:452120629-651-4TSTUo-(n-succinimidyl)-1,1,3,3-tetramethyluronium tetrafluoroborateMFCD00077875N,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium tetrafluoroborate105882-38-0O-(N-Succinimidyl)-N,N,N',N'-tetramethyluronium tetrafluoroborate2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate[dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium;tetrafluoroborate

이름 더 보기

O-(N-succinimidyl)-N,N,N',N'-tetramethyl uronium bf4O-(N-SucciniMidyl)-1,1,3,3-tetraMethyl uraniuM tetrafluoroborateTSTU, N-{(Dimethylamino)[(2,5-dioxopyrrolidin-1-yl)oxy]methylidene}-N-methylmethylaminium tetrafluoroborateHONSTUTSTU 25 GTSTU USP/EP/BP

[dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxy-methylene]-dimethyl-ammonium tetrafluoroborateo-(n-succinimidyl)-n,n,n',n'-tetramethyl-uronium tetrafluoroborateC9H16BF4N3O32-succinimido-1,1,3,3-tetra-methyluronium tetrafluoroborateSCHEMBL26220SCHEMBL131101orb2939193DTXSID00431911

데이터베이스 식별자

CAS: 105832-38-0
PubChem CID: 9857522
DTXSID: DTXSID00431911
EC Number: 629-651-4

물성

구조 계산 물성

극성 표면적: 52.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 309

물리화학적 성질

녹는점: 198 · 198-201 °C(lit.)
밀도: 1.41 g/cm · 1.41 g/cm
저장 조건: 2 · 2-8°C
용해도: 0.1 g/mL, · 아세토니트릴: 0.1 g/mL, 투명
물리적 상태: 결정질 분말 또는 바늘
색상: 흰색에서 황백색까지
주요 응용: 펩타이드 합성
InChI: InChI=1S/C9H16N3O3.BF4/c1-10(2)9(11(3)4)15-12-7(13)5-6-8(12)14;2-1(3,4)5/h5-6H2,1-4H3;/q+1;-1
InChIKey: BVYYWTQJMFGHLU-UHFFFAOYSA-M
SMILES: [B+3]([F-])([F-])([F-])[F-].O(N1C(CCC1=O)=O)/C(=[N+](\C)/C)/N(C)C

화학적 성질

White crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (14.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (14.5%)

안전 데이터

wgk: 3
ridadr: 1759
HS 번호: 29280000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
포장분류: III
위험 등급: 8
F 고인화성물질: 8-10-21
Hazard Classifications: Skin Sens. 1A
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도TSTU is used as a peptide coupling reagent in solvent systems.

일반 설명N,N,N′,N′-Tetramethyl-O-(N-succinimidyl)uronium tetrafluoroborate is commonly used for the conversion of carboxylic acid into the corresponding N-hydroxysuccinimidyl (NHS) ester.