(2-BOC-aminophenyl)boronic acid

HCID 2773226

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 115377-94-1
표준 SMILES: CC(C)(C)OC(=O)Nc1ccccc1B(O)O
InChIKey: RMEIKYSECODAHJ-UHFFFAOYSA-N
분자식: C11H16BNO4
평균 분자량: 237.06 g/mol
단동위원소 질량: 237.11723839

이름 및 식별자

우선 이름: (2-BOC-aminophenyl)boronic acid
IUPAC: [2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
영어명: (2-BOC-AMINOPHENYL)BORONIC ACID
분자식: C11H16BNO4
분자량: 237.06

이름 및 동의어

(2-BOC-AMINOPHENYL)BORONIC ACIDRefChem:395428640-451-6115377-94-1(2-((tert-Butoxycarbonyl)amino)phenyl)boronic acid2-BOC-aminophenylboronic acidN-(tert-Butoxycarbonyl)-2-amino-1-phenylboronic acidMFCD02179450[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic AcidN-(tert-Butoxycarbonyl)-2-amino-1-phenylboronicacidCarbamic acid, N-(2-boronophenyl)-, 1,1-dimethylethyl ester(2-{[(tert-butoxy)carbonyl]amino}phenyl)boronic acid

이름 더 보기

2-(N-BOC-AMINO)PHENYLBORONIC ACIDAKOS BRN-0240C-(1,1-Dimethylethyl)ester2-BOC-aminophenylboronicaci(2-Boronophenyl)carbamicacidN-BOC-2-AMINOBENZENEBORONIC ACID2-(Boc-amino)benzeneboronic acidtert-Butyl (2-boronophenyl)carbamate2-(Boc-aMino)benzeneboronic acid, 96%

{2-[(tert-Butoxycarbonyl)amino]phenyl}boronic acidN-(TERT-BUTOXYC[2-(tert-butoxycarbonylamino)phenyl]boronic acid2-(TERT-BUTOXYCARBONYLAMINO)PHENYLBORONIC ACIDSCHEMBL1008543SCHEMBL295251322-(Boc-amino)phenylboronic acidDTXSID00378291

데이터베이스 식별자

CAS: 115377-94-1
PubChem CID: 2773226
DTXSID: DTXSID00378291
EC Number: 640-451-6
Nikkaji: J634.402J

물성

구조 계산 물성

극성 표면적: 78.8 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 265

물리화학적 성질

녹는점: 123 · 123-125°C
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 8.54 · 8.54±0.53(Predicted)
물리적 상태: 고체
색상: 연노랑

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.