基本情報
- CAS
1002309-52-5- 標準SMILES
Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O- InChIKey
IJUNZKOKAXJGRQ-UHFFFAOYSA-N- 分子式
- C12H18BNO3
- 平均分子量
- 235.09 g/mol
- 単同位体質量
- 235.13797384
名称と識別子
- 優先名称
- 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
- IUPAC
- 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
- 現地名
- N-メチル-1H-ピペリジン-2-オン-5-ボロン酸ピナコールエステル
- 英語名
- 2(1H)-PYRIDINONE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
- 分子式
- C12H18BNO3
- 分子量
- 235.09
名称と別名
1002309-52-51-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one1-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-one1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-oneMFCD110446831-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one2(1H)-PYRIDINONE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-Methyl-6-oxo-1,6-dihydropyridine-3-boronic acid pinacol esterN-METHYL-1H-PYRIDIN-2-ONE-5-BORONIC ACID, PINACOL ESTERSCHEMBL506071DTXSID70670234IJUNZKOKAXJGRQ-UHFFFAOYSA-N
名称をさらに表示
N-メチル-1H-ピペリジン-2-オン-5-ボロン酸ピナコールエステル1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyri...1-methyl-6-oxo-1,6-dihydropyridin-3-ylboronic acid pinacol ester1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2(1H)-PYRIDINONE
N-METHYL-1H-PYRIDIN-2-ON-METHYL-1H-PYRIDIN-2-ONE-5-BORONIC ACID PINACOL ESTER(1-METHYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERAKOS015850767CS-W004791PB23856DS-15886SY032836
物性
構造計算による物性
- 極性表面積
- 38.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 396
物理化学的性質
- 沸点
- 287.1 · 287.1±50.0 °C(Predicted)
- 比重(密度)
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 酸解離定数(Pka)
- 0.03 · 0.03±0.62(Predicted)
- 外見
- solid
- 色
- Beige
- InChI
- InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9/h6-8H,1-5H3
- InChIKey
- IJUNZKOKAXJGRQ-UHFFFAOYSA-N
- SMILES
- C1(=O)N(C)C=C(B2OC(C)(C)C(C)(C)O2)C=C1
安全と法規制
GHS分類
GHS Classification
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- hs_code
- 2933399990
化学と産業
上流・下流製品情報
上流原料
サプライヤー85 社
上海美律医药科技有限公司+86-53530655; +8613916485955 · [email protected]
PharmOrgSyn Laboratories Co., Ltd.+86-021-38228826 +86-13916602830 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
関連反応
27 件
化合物ノート
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