2-乙酰氨基吡啶-5-硼酸频哪醇酯

2-Acetamidopyridine-5-boronic acid pinacol ester

HCID 17750202CAS 904326-87-0

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基本信息

标准SMILES: CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey: YCWPTBAHVWJMEY-UHFFFAOYSA-N
分子式: C13H19BN2O3
平均分子量: 262.11 g/mol
单同位素质量: 262.14887287

名称与标识

首选名称: 2-Acetamidopyridine-5-boronic acid pinacol ester
IUPAC: N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
中文名: 2-乙酰氨基吡啶-5-硼酸频哪醇酯
英文名: 2-ACETAMIDOPYRIDINE-5-BORONIC ACID PINACOL ESTER, 97%
分子式: C13H19BN2O3
分子量: 262.11

名称与别名

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

展开更多名称

2-乙酰氨基吡啶-5-硼酸频哪醇酯2-乙酰胺基吡啶-5-硼酸匹那醇酯2-乙酰氨基砒啶-5-硼酸, 频哪醇酯N-(5-(4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷-2-基)吡啶-2-基)乙酰胺N-(5-(4,4,5,5-四甲基-1,3,2-二氧硼杂环戊烷-2-基)吡啶-2-基)乙酰胺N-(5-(4,4,5,5-四甲基-1,3,2-二氧杂硼杂环戊烷-2-基)吡啶-2-基)乙酰胺2-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

数据库标识

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

性质

结构计算性质

极性表面积: 60.5 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 19
形式电荷: 0
复杂度: 344

物理化学性质

熔点: 130 · 130-134 °C
沸点: 444.4 · 444.4±30.0 °C(Predicted)
密度: 1.11 · 1.11±0.1 g/cm3(Predicted)
储存条件: 2 · 2-8°C
酸度系数(pKa): 13.95 · 13.95±0.70(Predicted)
形态: solid
外观: White to off-white Solid
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

安全与法规

GHS分类

GHS Classification · 4 条

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.