Boc-3-(4-피리딜)-DL-알라닌

2-{[(Tert-butoxy)carbonyl]amino}-3-(pyridin-4-yl)propanoic acid

HCID 3294373CAS 33814-94-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)O
InChIKey: FNYWDMKESUACOU-UHFFFAOYSA-N
분자식: C13H18N2O4
평균 분자량: 266.29 g/mol
단동위원소 질량: 266.12665706

이름 및 식별자

우선 이름: 2-{[(Tert-butoxy)carbonyl]amino}-3-(pyridin-4-yl)propanoic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoic acid
현지명: Boc-3-(4-피리딜)-DL-알라닌
영어명: Boc-3-(4-pyridyl)-DL-alanine
분자식: C13H18N2O4
분자량: 266.29

이름 및 동의어

2-{[(tert-butoxy)carbonyl]amino}-3-(pyridin-4-yl)propanoic acid2-(((tert-butoxy)carbonyl)amino)-3-(pyridin-4-yl)propanoic acid2-([(tert-Butoxy)carbonyl]amino)-3-(pyridin-4-yl)propanoic acidRefChem:447123958-186-233814-94-7boc-3-(4-pyridyl)-dl-alanine2-((tert-Butoxycarbonyl)amino)-3-(pyridin-4-yl)propanoic acidMFCD066568572-{[(tert-Butoxy)carbonyl]amino}-3-(pyridin-4-yl)-propanoic acid2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoic acidSCHEMBL478774

이름 더 보기

Boc-3-(4-피리딜)-DL-알라닌Boc-DL-3-(4-Pyridyl)-alanineN-Boc-(4-Pyridyl)-DL-Alanine2-{[(tert-Butoxy)carbonyl]amino}-3-(pyridin-4-yl)propanoic acid 95+%4-Pyridinepropionic acid, α-(carboxyamino)-, N-tert-butyl ester (8CI)4-Pyridinepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]- (9CI)

Boc-D-3-(4-pyridyl)-alanineDTXSID50391152FNYWDMKESUACOU-UHFFFAOYSA-NIBA81494AKOS005765980SS-4040BOC-3-(4'-PYRIDYL)-D-ALANINESY361615

데이터베이스 식별자

CAS: 33814-94-7
PubChem CID: 3294373
DTXSID: DTXSID50391152
EC Number: 958-186-2

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 88.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 19
형식 전하: 0
복잡도: 319

물리화학적 성질

끓는 점: 454.3 · 454.3±40.0 °C(Predicted)
밀도: 1.2 · 1.200±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.43 · 3.43±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2933399990
위험 등급: IRRITANT

화학 및 산업

공급사23 곳

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

北京伊诺凯科技有限公司15652467323 · [email protected]

연결된 노트

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