Benzoic acid, 4-[3-(2-benzofuranyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1(4H)-yl]- (9CI)

• 常用名: Benzoic acid, 4-[3-(2-benzofuranyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1(4H)-yl]- (9CI)
• 英文名: Benzoic acid, 4-[3-(2-benzofuranyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1(4H)-yl]- (9CI)
• CAS号: 583021-12-9
• 分子量: 373.405
• 密度: 1.4±0.1 g/cm3
• 沸点: 634.7±55.0 °C at 760 mmHg
• 分子式: C₂₂H₁₉N₃O₃
• 熔点: N/A
• 闪点: 337.7±31.5 °C

名称

• 英文名: 4-[3-(1-Benzofuran-2-yl)-5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1(4H)-yl]benzoic acid

物理化学性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 634.7±55.0 °C at 760 mmHg
• 分子式: C₂₂H₁₉N₃O₃
• 分子量: 373.405
• 闪点: 337.7±31.5 °C
• 精确质量: 373.142639
• LogP: 5.83
• InChIKey: XAMKYLDAYUGTLA-UHFFFAOYSA-N
• SMILES: O=C(O)c1ccc(-n2nc(-c3cc4ccccc4o3)c3c2NCCCC3)cc1
• 蒸汽压: 0.0±2.0 mmHg at 25°C
• 折射率: 1.716

英文别名

• Benzoic acid, 4-[3-(2-benzofuranyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1(4H)-yl]-
• 4-[3-(1-Benzofuran-2-yl)-5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1(4H)-yl]benzoic acid