| Identification | |
| Name: | 1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-3-(phenylmethyl)- |
| Synonyms: | 2,3,4,5-Tetrahydro-3-(phenylmethyl)-1,5-methano-1H-3-benzazepine; |
| CAS: | 230615-48-2 |
| Molecular Formula: | C18H19N |
| Molecular Weight: | 249.35 |
| InChI: | InChI=1/C18H19N/c1-2-6-14(7-3-1)11-19-12-15-10-16(13-19)18-9-5-4-8-17(15)18/h1-9,15-16H,10-13H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.122 |
| Refractive index: | 1.624 |
| Specification: |
The 2,3,4,5-Tetrahydro-3-(phenylmethyl)-1,5-methano-1H-3-benzazepine, with the cas number 230615-48-2, is also called 1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-3-(phenylmethyl)-. The systematic name is 3-benzyl-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine. Its molecular formula is C18H19N. The properties of the chemical are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 147; (7)ACD/KOC (pH 5.5): 16; (8)ACD/KOC (pH 7.4): 822; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 78.436 cm3; (15)Molar Volume: 222.123 cm3; (16)Polarizability: 31.094×10-24cm3; (17)Surface Tension: 46.28 dyne/cm; (18)Enthalpy of Vaporization: 62.189 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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