Benzeneethanamine, a-phenyl- (25611-78-3)

This chemical is called 1,2-Diphenylethylamine, and it can also be named as Benzeneethanamine, α-phenyl-. With the molecular formula of C₁₄H₁₅N, its molecular weight is 197.28. The CAS registry number of this chemical is 25611-78-3, and its product categories are Amines; C11 to C38; Nitrogen Compounds.

Other characteristics of the 1,2-Diphenylethylamine can be summarised as followings: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.04; (8)ACD/KOC (pH 7.4): 8.13; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 63.82 cm³; (15)Molar Volume: 187.3 cm³; (16)Polarizability: 25.3×10^-24cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.02 g/cm³; (19)Flash Point: 136.8 °C; (20)Enthalpy of Vaporization: 55.2 kJ/mol; (21)Boiling Point: 311.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000575 mmHg at 25°C.

Uses of this chemical: The N-bibenzyl-a-yl-benzamide could be obtained by the reactants of benzoyl chloride and 1,2-Diphenylethylamine, the reagent of 15percent sodium hydroxide and the solvent of H₂O. This reaction should be taken for 1 hour at the temperature of 0 °C, and its yield is 98 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: NC(c1ccccc1)Cc2ccccc2
2.InChI: InChI=1/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2
3.InChIKey: DTGGNTMERRTPLR-UHFFFAOYAN
4.Std. InChI: InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2
5.Std. InChIKey: DTGGNTMERRTPLR-UHFFFAOYSA-N

The toxicity data is as follows: