기본 정보
- CAS
21012-18-0- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](Cn1cccn1)C(=O)O- InChIKey
JPGQESMEFISORC-QMMMGPOBSA-N- 분자식
- C11H17N3O4
- 평균 분자량
- 255.27 g/mol
- 단동위원소 질량
- 255.12190603
이름 및 식별자
- 우선 이름
- L-N-Boc-3-Pyrazol-1-yl-alanine
- IUPAC
- (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrazol-1-ylpropanoic acid
- 영어명
- Boc-3-(1-pyrazolyl)-Ala-OH
- 분자식
- C11H17N3O4
- 분자량
- 255.27
이름 및 동의어
l-n-boc-3-pyrazol-1-yl-alanineRefChem:797236675-930-921012-18-0(S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrazol-1-yl)propanoic acidMFCD07369855N-Boc-3-(1-pyrazolyl)-L-alanineBoc-3-(1-pyrazolyl)-Ala-OHN-Boc-3-(Pyrazol-1-yl)-L-alanine(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrazol-1-ylpropanoic acidN-(tert-butoxycarbonyl)-3-(1H-pyrazol-1-yl)-L-alanine(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-pyrazol-1-yl)propanoic acid
이름 더 보기
Boc-3-(1-Pyrazolyl)-L-alanineBoc-3-(Pyrazol-1-yl)-L-Ala-OHNα-Boc-3-(1-pyrazolyl)-L-alanineN-α-t-Butoxycarbonyl-β-(1-pyrazolyl)-L-alanineBOC-3-(1-PYRAZOLYL)-L-ALANINE(2S)-2-[(tert-Butoxycarbonyl)amino]-3-(pyrazol-1-yl)propionic acid(S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(1H-PYRAZOL-1-YL)PROPANOIC ACID
1H-Pyrazole-1-propanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaS)-Boc-Ala(1-Pyz)-OHN-(tert-butoxycarbonyl)-3-pyrazol-1-yl-L-alanineMFCD10565753N-Boc-3-(Pyrazol-1-yl)-DL-alanineBoc-Ala(pyrazol-1-yl)-OH(S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrazol-1-yl)propanoicacidSCHEMBL10246509
데이터베이스 식별자
- CAS
21012-18-0- PubChem CID
- 10264334
- DTXSID
DTXSID70437586- EC Number
- 675-930-9
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 93.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 314
물리화학적 성질
- 끓는 점
- 441.9 · 441.9±40.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.51 · 3.51±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)
안전 데이터
- wgk
- 3
화학 및 산업
상·하류 제품 정보
상류 원료
공급사28 곳
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