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| CAS No.: | 16511-38-9 |
|---|---|
| Name: | 1H-[1]-BENZAZEPHE-2,5(3H, 4H)-DIONE |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C10H9NO2 |
| Molecular Weight: | 175.18396 |
| Synonyms: | 3,4-Dihydro-1H-1-benzazepine-2,5-dione;NSC 641163; |
| Density: | 1.224 g/cm3 |
| Melting Point: | 177-179°C |
| Boiling Point: | 393.5 °C at 760 mmHg |
| Flash Point: | 184.9 °C |
| Appearance: | White Solid |
| PSA: | 46.17000 |
| LogP: | 1.73960 |
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- Total:36 Page 1 of 1 1
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Specification
The CAS register number of 1H-[1]-Benzazepin-2,5(3H,4H)-dione is 16511-38-9. It also can be called as 3,4-Dihydro-1H-benzo[b]azepine-2,5-dione and the systematic name about this chemical is 3,4-dihydro-1H-1-benzazepine-2,5-dione. It belongs to the Aromatics. This chemical can be used as a intermediate in the synthesis of protein kinase inhibitors.
Physical properties about 1H-[1]-Benzazepin-2,5(3H,4H)-dione are: (1)ACD/LogP: 1.77; (2)ACD/LogD (pH 5.5): 1.77; (3)ACD/LogD (pH 7.4): 1.77; (4)ACD/BCF (pH 5.5): 12.98; (5)ACD/BCF (pH 7.4): 12.98; (6)ACD/KOC (pH 5.5): 217.97; (7)ACD/KOC (pH 7.4): 217.97; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 37.38Å2; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 46.64 cm3; (13)Molar Volume: 143 cm3; (14)Polarizability: 18.49x10-24cm3; (15)Surface Tension: 45.3 dyne/cm; (16)Enthalpy of Vaporization: 64.34 kJ/mol; (17)Boiling Point: 393.5 °C at 760 mmHg; (18)Vapour Pressure: 2.12E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(cccc1)NC(=O)CC2
(2)InChI: InChI=1/C10H9NO2/c12-9-5-6-10(13)11-8-4-2-1-3-7(8)9/h1-4H,5-6H2,(H,11,13)
(3)InChIKey: VDTXDALRBZEUFV-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H9NO2/c12-9-5-6-10(13)11-8-4-2-1-3-7(8)9/h1-4H,5-6H2,(H,11,13)
(5)Std. InChIKey: VDTXDALRBZEUFV-UHFFFAOYSA-N