호투
6-Cyano-N,N,2-trimethyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-iminium hexafluorophosphate
기본 정보
- CAS
333717-40-1- 표준 SMILES
CCOC(=O)C(C#N)=NOC(N(C)C)=[N+](C)C.F[P-](F)(F)(F)(F)F- InChIKey
RKTBAMPZUATMIO-UHFFFAOYSA-N- 분자식
- C10H17F6N4O3P
- 평균 분자량
- 386.23 g/mol
- 단동위원소 질량
- 386.09424639
이름 및 식별자
- 우선 이름
- 6-Cyano-N,N,2-trimethyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-iminium hexafluorophosphate
- IUPAC
- [[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate
- 현지명
- 호투
- 영어명
- HOTU
- 분자식
- C10H17N4O3.F6P
- 분자량
- 386.23
이름 및 동의어
333717-40-1DTXSID907217526-Cyano-N,N,2-trimethyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-iminium hexafluorophosphateRefChem:308160DTXCID90672497MFCD01862832[[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphateC10H17F6N4O3P[[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium,hexafluorophosphateSCHEMBL19681415AKOS030228499FH15565
이름 더 보기
호투HOTUO-[(Ethoxycarbonyl)cyanomethylenamno]-N,N,N',N'-tetramethyluronium(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazaniumO-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium hexafluorophosphateO-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium hexafluorophosphateHOTUO-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium hexafluorophosphateHOTU O-[(Ethoxycarbonyl)cyanoMethylenaMino]-N,N,N',N'-tetraMethyluroniuM hexafluorophosphateO-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium hexafluorophosphate(HOTU)6-Cyano-N,N,2-trimethyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-aminium hexafluorophosphate(HOTU)
6-Cyano-N,N,2-trimethyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-aminium hexafluorophosphateSY0190496-Cyano-N,N,2-trimethyl-7-oxo-4,8-dioxa-2,5- diazadec-5-en-3-aminium hexafluorophosphateO-[(Ethoxycarbonyl)cyanomethylenamino]- N,N,N',N'-tetramethyluronium hexafluorophosphate[[(1-cyano-2-ethoxy-2-oxo-ethylidene)amino]oxy-(dimethylamino)methylene]-dimethyl-ammonium;hexafluorophosphate6-Cyano-N,N,2-trimethyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-iminium hexafluoridophosphate(1-)O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N inverted exclamation mark ,N inverted exclamation mark -tetramethyluronium Hexafluorophosphate
데이터베이스 식별자
- CAS
333717-40-1- PubChem CID
- 57348955
- DTXSID
DTXSID90721752- EC Number
- 693-453-4
물성
구조 계산 물성
- 극성 표면적
- 77.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 435
물리화학적 성질
- 녹는점
- 128 · 128-131 °C
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C10H17N4O3.F6P/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5;1-7(2,3,4,5)6/h6H2,1-5H3;/q+1;-1/b12-8-;
- InChIKey
- RKTBAMPZUATMIO-JCTPKUEWSA-N
- SMILES
- C(=[N+](/C)\C)(\N(C)C)/O/N=C(/C#N)\C(=O)OCC.[P-](F)(F)(F)(F)(F)F
화학적 성질
White powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2928.00.5000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 8-10-21
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Reagent for peptide couplingDerivatization for use in peptide synthesis
관련 반응
122건
화합물 노트
불러오는 중…