7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one
化学名:7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one
CAS番号.137982-91-3
英語名:7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one
CBNumberCB32500622
MFC18H15ClN2O4
MW358.78
MOL File137982-91-3.mol
7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one物理性質
| 融点 | 152 - 155°C |
| 沸点 | 573.3±50.0 °C(Predicted) |
| 比重(密度) | 1.387 |
| 貯蔵温度 | Keep in dark place,Sealed in dry,Room Temperature |
| 溶解性 | DMSO（微量）、メタノール（微量） |
| 外見 | 個体 |
| 酸解離定数(Pka) | -2.58±0.20(Predicted) |
| 色 | ホワイトからオフホワイト |
| InChI | InChI=1S/C18H15ClN2O4/c1-11-9-13(21(24)25)5-6-14(11)18(23)20-8-2-3-17(22)15-10-12(19)4-7-16(15)20/h4-7,9-10H,2-3,8H2,1H3 |
| InChIKey | NNCRQBJNAGEBDM-UHFFFAOYSA-N |
| SMILES | N1(C(=O)C2=CC=C([N+]([O-])=O)C=C2C)C2=CC=C(Cl)C=C2C(=O)CCC1 |
