| Identification | |
| Name: | 1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)- |
| Synonyms: | INTERMEDIATE OF FENOLDOPAM;6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine;1H-3-BENZAZEPINE, 6-CHLORO-2,3,4,5-TETRAHYDRO-7,8-DIMETHOXY-1-(4-METHOXYPHENYL)- |
| CAS: | 67287-53-0 |
| EINECS: | 266-633-1 |
| Molecular Formula: | C19H22ClNO3 |
| Molecular Weight: | 347.84 |
| InChI: | InChI=1/C19H22ClNO3/c1-22-13-6-4-12(5-7-13)16-11-21-9-8-14-15(16)10-17(23-2)19(24-3)18(14)20/h4-7,10,16,21H,8-9,11H2,1-3H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.166 g/cm3 |
| Refractive index: | 1.555 |
| Specification: |
The 6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine, with the CAS registry number 67287-53-0, is also known as 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-. Its EINECS number is 266-633-1. This chemical's molecular formula is C19H22ClNO3 and molecular weight is 347.84. Its IUPAC name is called 9-chloro-7,8-dimethoxy-5-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine. Physical properties of 6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.72; (7)ACD/KOC (pH 5.5): 1.6; (8)ACD/KOC (pH 7.4): 28.41; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 95.76 cm3; (14)Molar Volume: 298.1 cm3; (15)Surface Tension: 39 dyne/cm; (16)Density: 1.166 g/cm3; (17)Melting Point: 140-145 °C; (18)Flash Point: 243.6 °C; (19)Enthalpy of Vaporization: 74.34 kJ/mol; (20)Boiling Point: 479.2 °C at 760 mmHg; (21)Vapour Pressure: 2.42E-09 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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