4-(2-Morpholin-4-ylethoxy)benzeneboronic acid, pinacol ester

HCID 4625910CAS 690636-28-3

기본 정보

표준 SMILES: CC1(C)OB(c2ccc(OCCN3CCOCC3)cc2)OC1(C)C
InChIKey: ZHMKOJLQGMTKKB-UHFFFAOYSA-N
분자식: C18H28BNO4
평균 분자량: 333.2 g/mol
단동위원소 질량: 333.21113878

이름 및 식별자

우선 이름: 4-(2-Morpholin-4-ylethoxy)benzeneboronic acid, pinacol ester
IUPAC: 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine
영어명: 4-(2-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ETHYL)-MORPHOLINE
분자식: C19H29BN2O4
분자량: 360.26

이름 및 동의어

690636-28-34-(2-Morpholin-4-ylethoxy)benzeneboronic acid, pinacol esterRefChem:512684689-111-94-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)morpholineMFCD044408574-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine4-(2-Morpholinoethoxy)phenylboronic acid, pinacol4-{2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}morpholineDTXSID709999924-{2-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl) phenoxy]ethyl}morpholine4-(2-(4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-phenoxy)ethyl)morpholine

이름 더 보기

n-(2-Morpholinoethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide4-(2-Morpholinoethylcarbamoyl)benzeneboronic acid pinacol ester4-(2-Morpholin-4-ylethoxy)benzeneboronic acid, pinacol ester 97%N-[2-(Morpholin-4-yl)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide4-(2-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ETHYL)-MORPHOLINEBenzamide, N-[2-(4-morpholinyl)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

4-(2-Morpholinoethoxy)phenylboronic acid, pinacol ester4-(2-Morpholinoethoxy)phenylboronic acid pinacol esterKM7V3JLA5USCHEMBL171775ZHMKOJLQGMTKKB-UHFFFAOYSA-N(4-(2-MORPHOLINOETHOXY)PHENYL)BORONIC ACID PINACOL ESTERSBB0525484-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}morpholine

데이터베이스 식별자

CAS: 690636-28-3、787591-39-3
PubChem CID: 4625910
DTXSID: DTXSID70999992
UNII: KM7V3JLA5U
EC Number: 689-111-9

물성

구조 계산 물성

극성 표면적: 40.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 24
형식 전하: 0
복잡도: 388

물리화학적 성질

끓는 점: 526.5 · 526.5±45.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 14.5 · 14.50±0.46(Predicted)

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.