기본 정보
- CAS
152120-54-2- 표준 SMILES
CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)n1cccn1- InChIKey
QFNFDHNZVTWZED-UHFFFAOYSA-N- 분자식
- C14H22N4O4
- 평균 분자량
- 310.35 g/mol
- 단동위원소 질량
- 310.16410518
개요
See other relationships...
이름 및 식별자
- 우선 이름
- N,N'-Di-Boc-1H-pyrazole-1-carboximidamide
- IUPAC
- tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate
- 영어명
- N,N'-Bis-Boc-1-guanylpyrazole
- 분자식
- C14H22N4O4
- 분자량
- 310.35
이름 및 동의어
152120-54-2N,N-Bis-Boc-1-GuanylpyrazoleN,N'-Di-Boc-1H-pyrazole-1-carboximidamide1-[N,N'-(Di-Boc)amidino]pyrazoletert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamateBis-Boc-pyrazolocarboxamidineN,N'-Bis-(t-butyl-oxycarbonyl)-1-guanylpyrazole1143572-00-2tert-Butyl [(Boc-amino)(1H-pyrazol-1-yl)methylene]carbamatetert-butyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate1,1-Dimethylethyl N-[(Z)-[[(1,1-dimethylethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]carbamatePyrazol(BOC)2
이름 더 보기
N,N'-Di-Boc-1H-pyrazole-1-carboxamidinetert-butyl N-[(tert-butoxycarbonylamino)-pyrazol-1-yl-methylene]carbamatetert-Butyl (NZ)-N-[(tert-butoxycarbonylamino)-pyrazol-1-yl-methylene]carbamateuanyLBoc-PyrazolPYRAZOLE(BOC)2N,N'-Bis-boc-1-g
DTXSID90423002AS-11124Z1741971467tert-butyl (((tert-butoxycarbonyl)imino)(1H-pyrazol-1-yl)methyl)carbamate1-[N,N'-Bis(tert-butoxycarbonylN,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboximidamideTYD-00160AKOS005146335
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 94.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 449
물리화학적 성질
- 녹는점
- 86 · 86-90 °C(lit.)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 6.92 · 6.92±0.46(Predicted)
- 색상
- 흰색에서 황백색까지
- 수용성
- 물에 약간 용해됩니다. 메탄올 및 클로로포름에 용해됩니다.
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)16-10(18-9-7-8-15-18)17-12(20)22-14(4,5)6/h7-9H,1-6H3,(H,16,17,19,20)
- InChIKey
- QFNFDHNZVTWZED-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)/N=C(/NC(OC(C)(C)C)=O)\N1C=CC=N1
화학적 성질
White solid
안전 및 규제
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 46 reports by companies from 6 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
- 29331990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도N,N'-Di-Boc-1H-pyrazole-1-carboxamidine is used in the stereoselective synthesis of the bicyclic guanidine alkaloid (+)-monanchorin.
상·하류 제품 정보
상류 원료
공급사100 곳
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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