2-ACETAMIDOPYRIDINE-5-붕소산피나콜에스테르

2-Acetamidopyridine-5-boronic acid pinacol ester

HCID 17750202CAS 904326-87-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey: YCWPTBAHVWJMEY-UHFFFAOYSA-N
분자식: C13H19BN2O3
평균 분자량: 262.11 g/mol
단동위원소 질량: 262.14887287

이름 및 식별자

우선 이름: 2-Acetamidopyridine-5-boronic acid pinacol ester
IUPAC: N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
현지명: 2-ACETAMIDOPYRIDINE-5-붕소산피나콜에스테르
영어명: 2-ACETAMIDOPYRIDINE-5-BORONIC ACID PINACOL ESTER, 97%
분자식: C13H19BN2O3
분자량: 262.11

이름 및 동의어

2-Acetamidopyridine-5-boronic acid pinacol esterRefChem:462780625-425-4904326-87-0N-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)acetamideN-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamide2-ACETAMIDOPYRIDINE-5-BORONIC ACID, PINACOL ESTERMFCD08690229N-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]acetamideDTXSID10590346N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamideN-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-acetamide

이름 더 보기

2-ACETAMIDOPYRIDINE-5-붕소산피나콜에스테르2-Acetylamino-5-(4,4,5,5-tetramethyl-6-Acetamidopyridine-3-boronic acid pinacol ester[2-ACETAMIDOPYRIDINE-5-BORONIC ACID PINACOL ESTER, 97%][5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]acetamide2-ACETAMIDOPYRIDINE-5-BORONIC ACID PINACOL ESTER, 97% ISO 9001：2015 REACHAcetamide, N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (6-acetamidopyridin-3-yl)boronate

N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamideMB064886-(ACETAMIDO)PYRIDINE-3-BORONIC ACID PINACOL ESTERBM618, 2-Acetamidopyridine-5-boronic acid pinacol ester, 904326-87-02-acetamidopyridine-5-boronic acid pinacol ester, 97%SCHEMBL1181203SCHEMBL30831522YCWPTBAHVWJMEY-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 904326-87-0
PubChem CID: 17750202
DTXSID: DTXSID10590346
EC Number: 625-425-4

물성

구조 계산 물성

극성 표면적: 60.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 344

물리화학적 성질

녹는점: 130 · 130-134 °C
끓는 점: 444.4 · 444.4±30.0 °C(Predicted)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 13.95 · 13.95±0.70(Predicted)
InChI: 1S/C13H19BN2O3/c1-9(17)16-11-7-6-10(8-15-11)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3,(H,15,16,17)
InChIKey: YCWPTBAHVWJMEY-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(cn1)B2OC(C)(C)C(C)(C)O2

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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.