2-메톡시-5-(4,4,5,5-테트라메틸-[1,3,2]디옥사보롤란-2-일)-피리딘-3-일아민

2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine

HCID 59557920

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 893440-50-1
표준 SMILES: COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N
InChIKey: KYYKGOURQXPERA-UHFFFAOYSA-N
분자식: C12H19BN2O3
평균 분자량: 250.1 g/mol
단동위원소 질량: 250.14887287

이름 및 식별자

우선 이름: 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
IUPAC: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
현지명: 2-메톡시-5-(4,4,5,5-테트라메틸-[1,3,2]디옥사보롤란-2-일)-피리딘-3-일아민
영어명: 2-Methoxy-5-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-pyridin-3-ylamine
분자식: C12H19BN2O3
분자량: 250.1

이름 및 동의어

893440-50-12-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amineDTXSID90732383RefChem:262605DTXCID70683127811-804-35-Amino-6-methoxypyridine-3-boronic acid pinacol esterMFCD129234273-Amino-2-methoxypyridine-5-boronic acid pinacol ester2-Methoxy-3-aminopyridine-5-boronic acid pinacol esterdioxaborolan-2-yl)-pyridin-3-ylamine2-Methoxy-5-(4,4,5,5-tetramethyl-[1,3,2]

이름 더 보기

2-메톡시-5-(4,4,5,5-테트라메틸-[1,3,2]디옥사보롤란-2-일)-피리딘-3-일아민Omaveloxolone Impurity 33-Amino-2-methoxypyridin-5-ylboronic acid3-Amino-2-methoxypyridine-5-boronicacidpinacolester,96%3-Amino-2-methoxypyridin-5-ylboronic acid pinacol ester2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)

CS-B1261(5-amino-6-methoxypyridin-3-yl)boronic acid pinacol ester2-(5-Amino-6-methoxy-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane3-Amino-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine2-Methoxy-5-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-pyridin-3-ylamineAM807691SCHEMBL1102925-Amino-6-methoxypyridine-3-boronicAcidPinacolEster

데이터베이스 식별자

CAS: 893440-50-1
PubChem CID: 59557920
DTXSID: DTXSID90732383
EC Number: 811-804-3

물성

구조 계산 물성

극성 표면적: 66.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 296

물리화학적 성질

녹는점: 131 · 131-133℃
끓는 점: 392.3 · 392.3±42.0 °C(Predicted)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: powder to crystal
산도 계수 (pKa): 4.32 · 4.32±0.22(Predicted)
색상: 흰색에서 회색, 갈색까지
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)8-6-9(14)10(16-5)15-7-8/h6-7H,14H2,1-5H3
InChIKey: KYYKGOURQXPERA-UHFFFAOYSA-N
SMILES: C1(OC)=NC=C(B2OC(C)(C)C(C)(C)O2)C=C1N

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)

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.