CAS 942922-07-8 2-(4-Methylpiperazino)pyrimidine-5-boronic acid pinacol ester (HCID 16414228)

기본 정보

CAS: 942922-07-8
표준 SMILES: CN1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1
InChIKey: LGIDGOSYDQTQDO-UHFFFAOYSA-N
분자식: C15H25BN4O2
평균 분자량: 304.2 g/mol
단동위원소 질량: 304.20705644

이름 및 식별자

우선 이름: 2-(4-Methylpiperazino)pyrimidine-5-boronic acid pinacol ester
IUPAC: 2-(4-methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
현지명: 2-(4-메틸피페라진-1-YL)피리미딘-5-보론산피나콜에스테르
영어명: 2-(4-Methylpiperazin-1-yl)pyrimidine-5-boronic acid pinacol ester
분자식: C15H25BN4O2
분자량: 304.2

이름 및 동의어

2-(4-METHYLPIPERAZINO)PYRIMIDINE-5-BORONIC ACID PINACOL ESTERRefChem:458167895-323-4942922-07-82-(4-Methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine2-(4-METHYLPIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTERMFCD08669592SCHEMBL1484840DTXSID30585971(2-(4-METHYLPIPERAZIN-1-YL)PYRIMIDIN-5-YL)BORONIC ACID PINACOL ESTERSY300928O10023

이름 더 보기

2-(4-메틸피페라진-1-YL)피리미딘-5-보론산피나콜에스테르2-(4-METHYLPIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL2-(4-Methyl-1-piperazinyl)pyrimidine-5-boronic Acid Pinacol Ester2-(N-Methylpiperazin-1-yl)pyrimidine-5-boronic acid pinacol esterPyrimidine, 2-(4-methyl-1-piperazinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

2-(4-methyl-1-piperazinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidineFT-0723045A859483C15H25BN4O2LGIDGOSYDQTQDO-UHFFFAOYSA-NAKOS016001025MB06445AS-49897

물성

구조 계산 물성

극성 표면적: 50.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 22
형식 전하: 0
복잡도: 375

물리화학적 성질

끓는 점: 445.9 · 445.9±55.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 7.44 · 7.44±0.42(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.