CAS 850567-31-6 3-(2-Dimethylaminoethylaminocarbonyl)benzeneboronic acid (HCID 44119531)

기본 정보

CAS: 850567-31-6
표준 SMILES: CN(C)CCNC(=O)c1cccc(B(O)O)c1
InChIKey: WGZQGJKHTBTXLD-UHFFFAOYSA-N
분자식: C11H17BN2O3
평균 분자량: 236.08 g/mol
단동위원소 질량: 236.1332228

이름 및 식별자

우선 이름: 3-(2-Dimethylaminoethylaminocarbonyl)benzeneboronic acid
IUPAC: [3-[2-(dimethylamino)ethylcarbamoyl]phenyl]boronic acid
현지명: 3-(2-(디메틸아미노)에틸카바모일)페닐보론산
영어명: 3-(2-(DIMETHYLAMINO)ETHYLCARBAMOYL)PHENYLBORONIC ACID
분자식: C11H17BN2O3
분자량: 236.08

이름 및 동의어

3-(2-Dimethylaminoethylaminocarbonyl)benzeneboronic acidRefChem:490965689-300-6850567-31-63-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid(3-((2-(Dimethylamino)ethyl)carbamoyl)phenyl)boronic acid[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]boronic acidMFCD04115706(3-{[2-(dimethylamino)ethyl]carbamoyl}phenyl)boronic acid(3-((2-(Dimethylamino)ethyl)carbamoyl)-phenyl)boronic acid(3-((2-(DimethylaSCHEMBL875451

이름 더 보기

3-(2-(디메틸아미노)에틸카바모일)페닐보론산3-(2-(dimethylamino)ethylcarbamyl)phenylboronic acid3-[2-(Dimethylamino)ethylcarbamoyl]benzeneboronicacid3-{[2-(Dimethylamino)ethyl]carbamoyl}benzeneboronicacid96%3-(2-N,N-DIMETHYLAMINOETHYLAMINOCARBONYL)PHENYLBORONIC ACID3-[2-(DiMethylaMino)ethylcarbaMoyl]benzeneboronic acid, 96%3-{[2-(Dimethylamino)ethyl]carbamoyl}benzeneboronic acid 96%3-(2-Dimethylaminoethylaminocarbonyl)benzeneboronic acid 96%3-(2-N,N-DIMETHYLAMINOETHYLAMINOCARBONYL)BENZENE BORONIC ACID

(3-((2-(Dimethylamino)ethyl)carbamoyl)phenyl)boronicacidDTXSID30657268WGZQGJKHTBTXLD-UHFFFAOYSA-NAKOS015850803AB20441BS-24302CS-0176073F73362

데이터베이스 식별자

CAS: 850567-31-6
PubChem CID: 44119531
DTXSID: DTXSID30657268
EC Number: 689-300-6

물성

구조 계산 물성

극성 표면적: 72.8 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 249

물리화학적 성질

녹는점: 42 · 42-45
밀도: 1.17 · 1.17±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 7.72 · 7.72±0.10(Predicted)
색상: 하얀색

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)

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%)

안전 데이터

HS 번호: 2931900090
hazard_code: Xi
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid is a useful reagent or reactant for organic synthesis and reactions.

공급사30 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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

Aladdin Scientific[email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]

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