N-BOC-2-(3-트리플루오로메틸-페닐)-DL-글리신

2-{[(Tert-butoxy)carbonyl]amino}-2-[3-(trifluoromethyl)phenyl]acetic acid

HCID 22309176CAS 146621-92-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)(C)OC(=O)NC(C(=O)O)c1cccc(C(F)(F)F)c1
InChIKey
NVMKZXKHKQKKFE-UHFFFAOYSA-N
분자식
C14H16F3NO4
평균 분자량
319.28 g/mol
단동위원소 질량
319.10314265

이름 및 식별자

우선 이름
2-{[(Tert-butoxy)carbonyl]amino}-2-[3-(trifluoromethyl)phenyl]acetic acid
IUPAC
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
현지명
N-BOC-2-(3-트리플루오로메틸-페닐)-DL-글리신
영어명
N-BOC-2-(3-TRIFLUOROMETHYL-PHENYL)-DL-GLYCINE
분자식
C14H16F3NO4
분자량
319.28

이름 및 동의어

2-{[(tert-butoxy)carbonyl]amino}-2-[3-(trifluoromethyl)phenyl]acetic acid2-(((tert-butoxy)carbonyl)amino)-2-(3-(trifluoromethyl)phenyl)acetic acidRefChem:447041675-730-1146621-92-3N-Boc-2-(3-trifluoromethylphenyl)-DL-glycinen-boc-2-(3-trifluoromethyl-phenyl)-dl-glycine[(tert-butoxycarbonyl)amino][3-(trifluoromethyl)phenyl]acetic acidMFCD07388839N-Boc-2-[3-(trifluoromethyl)phenyl]-DL-glycine2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acidC14H16F3NO4
이름 더 보기
N-BOC-2-(3-트리플루오로메틸-페닐)-DL-글리신Boc-2-(3-(TrifluoroMethyl)-phenyl)glycineBenzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(trifluoromethyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
Benzeneacetic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(trifluoromethyl)-2-(tert-butoxycarbonylamino)-2-(3-(trifluoromethyl)phenyl)acetic acid2-((tert-Butoxycarbonyl)amino)-2-(3-(trifluoromethyl)phenyl)aceticacid2-(tert-butoxycarbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid2-((tert-Butoxycarbonyl)amino)-2-(3-(trifluoromethyl)phenyl)acetic acidSCHEMBL381877SCHEMBL30117107tert-Butoxycarbonylamino-(3-trif

데이터베이스 식별자

CAS
146621-92-3
PubChem CID
22309176
DTXSID
DTXSID00624568
EC Number
675-730-1

물성

구조 계산 물성

XLogP
3.1
극성 표면적
75.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
22

물리화학적 성질

끓는 점
398.5 · 398.5±42.0 °C(Predicted)
밀도
1.297 · 1.297±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
3.36 · 3.36±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

공급사22 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]

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