Boc-Tyr-OMe
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기본 정보
- CAS
4326-36-7- 표준 SMILES
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C- InChIKey
NQIFXJSLCUJHBB-LBPRGKRZSA-N- 분자식
- C15H21NO5
- 평균 분자량
- 295.33 g/mol
- 단동위원소 질량
- 295.14197277
이름 및 식별자
- 우선 이름
- Boc-Tyr-OMe
- IUPAC
- methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
- 영어명
- Boc-L-Tyrosine methyl ester
- 분자식
- C15H21NO5
- 분자량
- 295.33
이름 및 동의어
Boc-Tyr-OMe4326-36-7DTXSID60427077RefChem:330068DTXCID50377911805-703-3Boc-L-tyrosine methyl esterN-(tert-Butoxycarbonyl)-L-tyrosine methyl esterMFCD00191181N-Boc-L-tyrosine Methyl Estermethyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoatemethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
이름 더 보기
BOC-L-TYR-OMEBoc-Tyr-OMe 97%N-BOC-L-Tyr-OmeBOC-TYROSINE-OME-Tyrosine methyLBoc-L-Tyr-Ome-OHBoc-L-Tyrosine methyMethyl N-Boc-L-tyrosinate
methyl N-(tert-butoxycarbonyl)-L-tyrosinateM03336Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoateN-Boc-tyrosine methyl ester(S)-2-tert-butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionic acid methyl ester(S)-2-tert-Butoxycarbonylamino-3-[4-hydroxy-phenyl]-propionic acid methyl esterOctreotide Impurity 75
데이터베이스 식별자
- CAS
4326-36-7- PubChem CID
- 7019130
- DTXSID
DTXSID60427077- EC Number
- 805-703-3
- Nikkaji
- J465.574E
물성
구조 계산 물성보충 중
- XLogP
- 1.7
- 극성 표면적
- 84.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 356
물리화학적 성질
- 녹는점
- 100 · 100-104 °C(lit.)
- 끓는 점
- 452.7 · 452.7±40.0 °C(Predicted)
- 밀도
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- 굴절률
- 50 ° · 50 ° (C=1, MeOH)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- almost transparency in Methanol
- 산도 계수 (pKa)
- 9.75 · 9.75±0.15(Predicted)
- 물리적 상태
- 분말 또는 결정성 분말
- 색상
- 흰색에서 연한 노란색
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m0/s1
- InChIKey
- NQIFXJSLCUJHBB-LBPRGKRZSA-N
- SMILES
- C(OC)(=O)[C@H](CC1=CC=C(O)C=C1)NC(OC(C)(C)C)=O
화학적 성질
Colorless solid
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 75% (3 of 4) of all reports.
Warning
H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): 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 4 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 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 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 (25%)；Eye Irrit. 2A (25%)；STOT SE 3 (25%)
안전 데이터
- wgk
- 3
- HS 번호
- 29242990
- safety_code
- 24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
상·하류 제품 정보
하류 제품
관련 반응
65건
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