3-(Aminomethyl)benzeneboronic acid, N-BOC protected

HCID 3684686

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 199609-62-6
표준 SMILES: CC(C)(C)OC(=O)NCc1cccc(B(O)O)c1
InChIKey: YHAQUGOSDQZIMA-UHFFFAOYSA-N
분자식: C12H18BNO4
평균 분자량: 251.09 g/mol
단동위원소 질량: 251.13288846

이름 및 식별자

우선 이름: 3-(Aminomethyl)benzeneboronic acid, N-BOC protected
IUPAC: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
영어명: 3-((N-Boc-amino)methyl)phenylboronic acid
분자식: C12H18BNO4
분자량: 251.09

이름 및 동의어

3-(Aminomethyl)benzeneboronic acid, N-BOC protectedRefChem:494127695-771-9199609-62-63-(N-Boc-aminomethyl)phenylboronic acid(3-(((tert-Butoxycarbonyl)amino)methyl)phenyl)boronic acid3-((N-Boc-amino)methyl)phenylboronic acid3-((tert-butoxycarbonylamino)methyl)phenylboronic acidMFCD06246052[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic Acid3-N-(BOC)aminomethylphenylboronic acidCarbamic acid, N-[(3-boronophenyl)methyl]-, C-(1,1-dimethylethyl) ester

이름 더 보기

N-BOC protected 97%3-[(Boc-amino)methyl]phenylboronic Acid3-(Boc-aMinoMethyl)benzeneboronic acid, 97%3-N-(BOC)aminomethylphenylboronic acid - [B1972]3-(Aminomethyl)benzeneboronicacid,N-BOCprotected97%

[3-[(tert-butoxycarbonylamino)methyl]phenyl]boronic acid3-(TERT-BUTOXYCARBONYLAMINOMETHYL)PHENYLBORONIC ACID[3-({[(tert-butoxy)carbonyl]amino}methyl)phenyl]boronic acid(3-{[(Tert-butoxycarbonyl)amino]methyl}phenyl)boronic acid3-[(tert-butoxycarbonylamino)methyl]phenylboronic acid3-(n-boc-aminomethyl)benzeneboronic acidn-boc-3-(aminomethyl)benzeneboronic acid[3-(N-Boc-Aminomethyl)phenyl]boronic acid

데이터베이스 식별자

CAS: 199609-62-6
PubChem CID: 3684686
DTXSID: DTXSID70395016
EC Number: 695-771-9
Nikkaji: J979.450F

물성

구조 계산 물성

극성 표면적: 78.8 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 278

물리화학적 성질

녹는점: 188 · 188-190°C
밀도: 1.15 · 1.15±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 8.41 · 8.41±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)
InChIKey: YHAQUGOSDQZIMA-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)NCc1cccc(c1)B(O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

안전 데이터

wgk: WGK 3
HS 번호: 2931900090
risk_code: 36/37/38-43
hazard_code: Xi
safety_code: 26-36/37/39-36/37
위험 등급: IRRITANT
Hazard Classifications: Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사63 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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