2-[(tert-부톡시카르보닐)아미노]-3-(4-히드록시페닐)프로판산

tert-Butoxycarbonyl-tyrosine

HCID 100117

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 142847-18-5
표준 SMILES: CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIKey: CNBUSIJNWNXLQQ-UHFFFAOYSA-N
분자식: C14H19NO5
평균 분자량: 281.3 g/mol

개요

RN refers to (L)-isomer

이름 및 식별자

우선 이름: tert-Butoxycarbonyl-tyrosine
IUPAC: 3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
현지명: 2-[(tert-부톡시카르보닐)아미노]-3-(4-히드록시페닐)프로판산
영어명: 2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
분자식: C14H19NO5
분자량: 281.3

이름 및 동의어

tert-Butoxycarbonyl-tyrosineRefChem:188175Boc-Tyr142847-18-5BOC-DL-Tyrosine2-((tert-Butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoic acidn-boc-dl-tyrosineMFCD001960923-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(4-HYDROXYPHENYL)PROPANOIC ACID2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoic acidBoc-[15N]Tyr-OH

이름 더 보기

2-[(tert-부톡시카르보닐)아미노]-3-(4-히드록시페닐)프로판산N-Boc-DL-tyrosine, 98%(Tert-Butoxy)Carbonyl DL-Tyr-OHN-(tert-Butoxycarbonyl)-DL-tyrosineTyrosine, N-[(1,1-dimethylethoxy)carbonyl]-N-[[(2-Methyl-2-propanyl)oxy]carbonyl]tyrosine2-[(tert-butoxyarbonyl)amino]-3-(4-hydroxyphenyl)propa

Tert-butoxycarbonyl-L-tyrosine2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acidN-((tert-Butoxy)carbonyl)-L-tyrosineN-[(tert-Butoxy)carbonyl]-L-tyrosine87713-11-9NSC-334307N-boc-d,l-tyrosineNSC334307

데이터베이스 식별자

CAS: 142847-18-5、3978-80-1
PubChem CID: 100117
UNII: D4SC6ZJL3X
EC Number: 223-613-7

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 95.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 20
형식 전하: 0
복잡도: 342

물리화학적 성질

끓는 점: 484.9 · 484.9±40.0 °C(Predicted)
밀도: 1.238 · 1.238±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.98 · 2.98±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.

Warning

H315 (62.5%): 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 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.