기본 정보
- CAS
59279-60-6- 표준 SMILES
COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC- InChIKey
QNSPKWUAZQIIGZ-QMMMGPOBSA-N- 분자식
- C12H21NO6
- 평균 분자량
- 275.3 g/mol
- 단동위원소 질량
- 275.13688739
이름 및 식별자
- 우선 이름
- Dimethyl N-(tert-Butoxycarbonyl)-L-glutamate
- IUPAC
- dimethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
- 영어명
- (R)-N-Boc-glutamic acid-1,5-dimethyl ester
- 분자식
- C12H21NO6
- 분자량
- 275.3
이름 및 동의어
59279-60-6dimethyl N-(tert-butoxycarbonyl)-L-glutamateDTXSID403704161,5-Dimethyl N-((1,1-dimethylethoxy)carbonyl)-L-glutamate1,5-Dimethyl N-[(1,1-dimethylethoxy)carbonyl]-L-glutamateRefChem:588290DTXCID70321451858-937-3Boc-Glu(OMe)-OMeN-Boc-L-Glutamic Acid dimethyl ester(S)-Dimethyl 2-((tert-butoxycarbonyl)amino)pentanedioate(R)-N-Boc-glutamic acid-1,5-dimethyl ester
이름 더 보기
BOC-GLU(OME)-OME 45GBOC-L-GLUTAMIC ACID DIMETHYL ESTERdimethyl(tert-butoxycarbonyl)-L-glutamate(S)-diMethyl 2-(tert-butoxycarbonylaMino)pentanedioateBOC-L-GLU(ME)-OME
dimethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioateMFCD03094774N-Boc-L-glutamic acid 1,5-dimethyl esterBoc-L-Glu(Ome)-OmeDimethyl (tert-butoxycarbonyl)-L-glutamatedimethyl (2S)-2-(tert-butoxycarbonylamino)pentanedioateDS-14363N-alpha-t-Butyloxycarbonyl-L-glutamic acid dimethyl diester
데이터베이스 식별자
- CAS
59279-60-6- PubChem CID
- 2734644
- DTXSID
DTXSID40370416- EC Number
- 858-937-3
- Nikkaji
- J893.266B
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 90.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 334
물리화학적 성질
- 녹는점
- 43 to · 43.0 to 47.0 °C
- 끓는 점
- 370.9 · 370.9±32.0 °C(Predicted)
- 밀도
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
- 산도 계수 (pKa)
- 10.86 · 10.86±0.46(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색~담황색
- InChI
- InChI=1S/C12H21NO6/c1-12(2,3)19-11(16)13-8(10(15)18-5)6-7-9(14)17-4/h8H,6-7H2,1-5H3,(H,13,16)/t8-/m0/s1
- InChIKey
- QNSPKWUAZQIIGZ-QMMMGPOBSA-N
- SMILES
- C(OC)(=O)[C@H](CCC(OC)=O)NC(OC(C)(C)C)=O
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 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33073
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
안전 데이터
- HS 번호
- 2922420090
화학 및 산업
응용 분야
용도(R)-N-Boc-glutamic acid-1,5-dimethyl ester can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development and chemical production processes.
상·하류 제품 정보
상류 원료
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
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