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CAS No.: | 20390-68-5 |
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Name: | 1-PHENYL-2,3,4,5-TETRAHYDRO-1H-BENZAZEPINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C16H17N |
Molecular Weight: | 223.318 |
Synonyms: | 1-Phenyl-2,3,4,5-tetrahydro-1H-benzoazepine;1-Phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine; |
Density: | 1.042 g/cm3 |
Boiling Point: | 365.4 °C at 760 mmHg |
Flash Point: | 185.1 °C |
PSA: | 12.03000 |
LogP: | 3.29300 |
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The 1H-3-Benzazepine,2,3,4,5-tetrahydro-1-phenyl-, with the CAS registry number 20390-68-5, is also known as 1-Phenyl-2,3,4,5-tetrahydro-1H-benzoazepine. This chemical's molecular formula is C16H17N and molecular weight is 223.31. What's more, its systematic name is 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
Physical properties of 1H-3-Benzazepine,2,3,4,5-tetrahydro-1-phenyl- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 70.83 cm3; (9)Molar Volume: 214.2 cm3; (10)Polarizability: 28.07×10-24cm3; (11)Surface Tension: 40.2 dyne/cm; (12)Density: 1.042 g/cm3; (13)Flash Point: 185.1 °C; (14)Enthalpy of Vaporization: 61.16 kJ/mol; (15)Boiling Point: 365.4 °C at 760 mmHg; (16)Vapour Pressure: 1.58E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1)CCNCC2c3ccccc3
(2)InChI: InChI=1S/C16H17N/c1-2-6-13(7-3-1)16-12-17-11-10-14-8-4-5-9-15(14)16/h1-9,16-17H,10-12H2
(3)InChIKey: MEXPXLPUVFBQGJ-UHFFFAOYSA-N