4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl)morpholine

HCID 2795363

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 485799-04-0
표준 SMILES: CC1(C)OB(c2ccc(N3CCOCC3)nc2)OC1(C)C
InChIKey: ZGDLVKWIZHHWIR-UHFFFAOYSA-N
분자식: C15H23BN2O3
평균 분자량: 290.17 g/mol
단동위원소 질량: 290.180173

이름 및 식별자

우선 이름: 4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl)morpholine
IUPAC: 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
영어명: 6-(Morpholin-4-yl)pyridine-3-boronic acid pinacol ester
분자식: C15H23BN2O3
분자량: 290.17

이름 및 동의어

4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl)morpholineRefChem:514623676-469-6485799-04-04-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine6-(Morpholin-4-yl)pyridine-3-boronic acid pinacol ester4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholineMFCD040398742-(MORPHOLIN-4-YL)PYRIDINE-5-BORONIC ACID PINACOL ESTER6-Morpholinopyridin-3-ylboronic acid pinacol ester6-MORPHOLINOPYRIDINE-3-BORONIC ACID PINACOL ESTER

이름 더 보기

2-MORPHOLIN-5-PYRIDYLBORONIC ACID PINACOL ESTER6-MORPHOLINOPYRIDINE-3-BORONIC ACID, PINACOL EST6-MORPHOLINOPYRIDINE-3-BORONIC ACID, PINACOL ESTER4-Morpholino-2-pyridine-5-boronic acid pinacol ester6-(4-MORPHOLINO)PYRIDINE-3-BORONIC ACID PINACOL ESTER

6-(4-MORPHOLINYL)PYRIDINE-3-BORONIC ACID PINACOL ESTER4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-morpholine654310_ALDRICH, ST5407571, 6-Morpholinopyridin-3-ylboronic acid pinacol ester, 6-(Morpholin-4-yl)pyridine-3-boronic acid pinacol ester, 1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine, 485799-04-02-Morpholinopyridine-5-boronic acid, pinacol esterSCHEMBL1425282-(4-Morpholino)pyridine-5-boronic acid pinacol esterSCHEMBL31212828DTXSID90383637

데이터베이스 식별자

CAS: 485799-04-0
PubChem CID: 2795363
DTXSID: DTXSID90383637
EC Number: 676-469-6

물성

구조 계산 물성

극성 표면적: 43.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 21
형식 전하: 0
복잡도: 356

물리화학적 성질

녹는점: 135 · 135-139 °C (lit.)
끓는 점: 440.9 · 440.9±45.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 5.58 · 5.58±0.10(Predicted)
InChI: 1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(17-11-12)18-7-9-19-10-8-18/h5-6,11H,7-10H2,1-4H3
InChIKey: ZGDLVKWIZHHWIR-UHFFFAOYSA-N
SMILES: CC1(C)OB(OC1(C)C)c2ccc(nc2)N3CCOCC3

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.