2-모르폴리노피리딘-4-보론산,피나콜에스테르

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

HCID 21081661

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 888721-86-6
표준 SMILES: CC1(C)OB(c2ccnc(N3CCOCC3)c2)OC1(C)C
InChIKey: HZJIGVGLNZISJU-UHFFFAOYSA-N
분자식: C15H23BN2O3
평균 분자량: 290.17 g/mol
단동위원소 질량: 290.1801728

이름 및 식별자

우선 이름: 4-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine
IUPAC: 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
현지명: 2-모르폴리노피리딘-4-보론산,피나콜에스테르
영어명: 2-Morpholinopyridine-4-boronic acid, pinacol ester
분자식: C15H23BN2O3
분자량: 290.17

이름 및 동의어

4-[4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]MORPHOLINE4-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholineRefChem:513796801-857-0888721-86-64-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine2-MORPHOLINOPYRIDINE-4-BORONIC ACID, PINACOL ESTERMFCD110540394-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine2-MORPHOLINOPYRIDIN-4-YLBORONIC ACID PINACOL ESTER2-Morpholinopyridine-4-boronic acid pinacol esterSCHEMBL875614

이름 더 보기

2-모르폴리노피리딘-4-보론산,피나콜에스테르[2-(Morpholin-4-yl)pyridin-4-yl]boronic acid2-Morpholinopyridine-4-boronic acid, pinacol ester AldrichCPRMorpholine, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-

SCHEMBL29717141DTXSID30610611HZJIGVGLNZISJU-UHFFFAOYSA-NAKOS015947290AT13899MB09211BS-22938SY287779

데이터베이스 식별자

CAS: 888721-86-6
PubChem CID: 21081661
DTXSID: DTXSID30610611
EC Number: 801-857-0

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

끓는 점: 450.1 · 450.1±45.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: -20 °C, · -20°C, protect from light
물리적 상태: solid
산도 계수 (pKa): 4.8 · 4.80±0.10(Predicted)
InChI: 1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-5-6-17-13(11-12)18-7-9-19-10-8-18/h5-6,11H,7-10H2,1-4H3
InChIKey: HZJIGVGLNZISJU-UHFFFAOYSA-N
SMILES: B3(OC(C(O3)(C)C)(C)C)c1cc(ncc1)N2CCOCC2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.