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Basic Information
CAS No.: 20927-57-5
Name: 4-PHENYL-2,3-DIHYDRO-1H-1,5-BENZODIAZEPINE
Article Data: 3
Molecular Structure:
Molecular Structure of 20927-57-5 (4-PHENYL-2,3-DIHYDRO-1H-1,5-BENZODIAZEPINE)
Formula: C15H14N2
Molecular Weight: 222.29
Synonyms: 4-Phenyl-2,3-dihydro-1H-1,5-benzodiazepine;2,3-Dihydro-4-phenyl-1H-1,5-benzodiazepine;
Density: 1.12 g/cm3
Boiling Point: 372.8 °C at 760 mmHg
Flash Point: 179.3 °C
Hazard Symbols: IrritantXi
PSA: 24.39000
LogP: 3.19660
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Specification

This chemical is called 1H-1,5-Benzodiazepine,2,3-dihydro-4-phenyl-, and it can also be named as 4-Phenyl-2,3-dihydro-1H-1,5-benzodiazepine. With the molecular formula of C15H14N2, its molecular weight is 222.29. The CAS registry number of this chemical is 20927-57-5. 

Other characteristics of the 1H-1,5-Benzodiazepine,2,3-dihydro-4-phenyl- can be summarised as follows: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 5.36; (6)ACD/BCF (pH 7.4): 20.83; (7)ACD/KOC (pH 5.5): 77.9; (8)ACD/KOC (pH 7.4): 302.53; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 15.6 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 70.13 cm3; (15)Molar Volume: 197.9 cm3; (16)Polarizability: 27.8×10-24 cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 179.3 °C; (20)Enthalpy of Vaporization: 62 kJ/mol; (21)Boiling Point: 372.8 °C at 760 mmHg; (22)Vapour Pressure: 9.37E-06 mmHg at 25°C.

Production method of this chemical: The chemical could be obtained by the reactants of Benzene-1,2-diamine and 3-Dimethylamino-1-phenyl-propan-1-one; hydrochloride. This reaction needs the solvent of ethanol. The yield is 60 %. This reaction should be taken for 15 minutes. In addition, it needs heating.

The chemical could be obtained by the reactants of Benzene-1,2-diamine and 3-Dimethylamino-1-phenyl-propan-1-one; hydrochloride.

You can still convert the following datas into molecular structure:
1.SMILES: N=2c1c(cccc1)NCCC=2c3ccccc3
2.InChI: InChI=1/C15H14N2/c1-2-6-12(7-3-1)13-10-11-16-14-8-4-5-9-15(14)17-13/h1-9,16H,10-11H2
3.InChIKey: UWSMNBPALLFTAQ-UHFFFAOYAQ