1H-Azepin-4-amine,hexahydro-1-(phenylmethyl)- (109105-51-3)

This chemical is called 1-Benzyl-hexahydro-4H-azepin-4-amine, and its IUPAC name is 1-benzylazepan-4-amine. With the molecular formula of C₁₃H₂₀N₂, its molecular weight is 204.31. In addition, the CAS registry number of this chemical is 109105-51-3, and its product category is Pharmacetical.

Other characteristics of this chemical can be summarised as followings:  (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.26 Å²; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 63.95 cm³; (13)Molar Volume: 201.1 cm³; (14)Polarizability: 25.35×10^-24cm³; (15)Surface Tension: 40.9 dyne/cm; (16)Density: 1.015 g/cm³; (17)Flash Point: 125.1 °C; (18)Enthalpy of Vaporization: 54.02 kJ/mol; (19)Boiling Point: 300.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00114 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1ccc(cc1)CN2CCCC(CC2)N
(2)InChI: InChI=1/C13H20N2/c14-13-7-4-9-15(10-8-13)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2
(3)InChIKey: AWOBBFYDHSJOIL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C13H20N2/c14-13-7-4-9-15(10-8-13)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2
(5)Std. InChIKey: AWOBBFYDHSJOIL-UHFFFAOYSA-N