基本情報
- CAS
296266-88-1- 標準SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C)o1- InChIKey
QFBBWNBTECTMDL-UHFFFAOYSA-N- 分子式
- C16H19NO5
- 平均分子量
- 305.32 g/mol
- 単同位体質量
- 305.12632271
名称と識別子
- 優先名称
- Dimethyl 2,6-dimethyl-4-(5-methyl-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
- 英語名
- 2,6-Dimethyl-4-(5-methyl-furan-2-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
- 分子式
- C16H19NO5
- 分子量
- 305.33
名称と別名
296266-88-1dimethyl 2,6-dimethyl-4-(5-methyl-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylatedimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylateMFCD004056103,5-DIMETHYL 2,6-DIMETHYL-4-(5-METHYLFURAN-2-YL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-methyl-2-furanyl)-, dimethyl esterCBMicro_020811Oprea1_267958Oprea1_766701MLS001044314CHEMBL610466CHEMBL1480279
名称をさらに表示
pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-2,6-Dimethyl-4-(5-methyl-furan-2-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acidDIMETHYL 2,6-DIMETHYL-4-(5-METHYL-2-FURYL)-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXYLATE2,6-dimethyl-4-(5-methyl-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester2,6-Dimethyl-4-(5-methyl-furan-2-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(5-methyl-2-furanyl)-, dimethyl ester
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 77.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 511
実験および物理化学的性質
Solubility13 [ug/mL] (The mean of the results at pH 7.4)
物理化学的性質
- 融点
- 180 · 180-181 °C
- 沸点
- 415.3 · 415.3±45.0 °C(Predicted)
- 比重(密度)
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 2.81 · 2.81±0.70(Predicted)
化学と産業
サプライヤー1 社
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…