3-(N-METHYLAMINOCARBONYL)페닐보론산

3-(Methylcarbamoyl)benzeneboronic acid

HCID 2773524

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 832695-88-2
표준 SMILES: CNC(=O)c1cccc(B(O)O)c1
InChIKey: FYFFPNFUVMBPRZ-UHFFFAOYSA-N
분자식: C8H10BNO3
평균 분자량: 178.98 g/mol
단동위원소 질량: 179.07537358

이름 및 식별자

우선 이름: 3-(Methylcarbamoyl)benzeneboronic acid
IUPAC: [3-(methylcarbamoyl)phenyl]boronic acid
현지명: 3-(N-METHYLAMINOCARBONYL)페닐보론산
영어명: 3-(N-Methylaminocarbonyl)phenylboronic acid
분자식: C8H10BNO3
분자량: 178.98

이름 및 동의어

3-(Methylcarbamoyl)benzeneboronic acidRefChem:495532800-535-7832695-88-23-(N-Methylaminocarbonyl)phenylboronic acid(3-(Methylcarbamoyl)phenyl)boronic acid[3-(methylcarbamoyl)phenyl]boronic Acid3-(methylcarbamoyl)phenylboronic acid3-(N-Methylaminocarbonyl)benzeneboronic acidMFCD040389183-(METHYLAMINOCARBONYL)BENZENEBORONIC ACIDBoronic acid, [3-[(methylamino)carbonyl]phenyl]-

이름 더 보기

3-(N-METHYLAMINOCARBONYL)페닐보론산3-(N-MethyLaminocarbonyL3-Borono-N-methylbenzamide3-(N-Methylcarbamoyl)benzeneboronic acid3-(N-methylformionine)phenylboronic acid3-(N-Methylcarbamoyl)phenylboronic acid,[3-(MethylaMinocarbonyl)phenyl]boronic Acid

SCHEMBL190230DTXSID90378523FYFFPNFUVMBPRZ-UHFFFAOYSA-N3-(methyl-carbamoyl)phenylboronic acidAKOS005256306(3-(Methylcarbamoyl)phenyl)boronicacid3-methylaminocarbonylbenzeneboronic acidAB17210

데이터베이스 식별자

CAS: 832695-88-2
PubChem CID: 2773524
DTXSID: DTXSID90378523
EC Number: 800-535-7

물성

구조 계산 물성

극성 표면적: 69.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 186

물리화학적 성질

녹는점: 114 · 114-124°C
밀도: 1.23 · 1.23±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 7.7 · 7.70±0.10(Predicted)
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 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 CategoriesAcute Tox. 4 (66.7%)

안전 데이터

HS 번호: 2931900090
risk_code: 36/37/38-43-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-39-36/37
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도3-(N-METHYLAMINOCARBONYL)PHENYLBORONIC ACID is used in the preparation of thiazolopyridinylacetamide derivatives and analogs for use as PI3K and mTOR kinase inhibitors.