Benzhydrylpiperazine

The 1-(Diphenylmethyl)piperazine is an organic compound with the formula C₁₇H₂₀N₂. The IUPAC name of this chemical is 1-benzhydrylpiperazine. With the CAS registry number 841-77-0, it is also named as N-Benzhydrylpiperazine. The product's categories are Piperaizine; Piperazine Derivates. Besides, it is a white to light yellow crystalline powder, which should be stored in a closed cool and dry place. It is used for pharmaceutical intermediates, which can be used for synthesis of anti-histamine drugs.

Physical properties about 1-(Diphenylmethyl)piperazine are: (1)ACD/LogP: 2.85; (2)ACD/LogD (pH 5.5): -0.12; (3)ACD/LogD (pH 7.4): 1.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.87; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 18.36; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 6.48 Å²; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 78.92 cm³; (14)Molar Volume: 235.6 cm³; (15)Polarizability: 31.28×10^-24cm³; (16)Surface Tension: 42.2 dyne/cm; (17)Density: 1.07 g/cm³; (18)Flash Point: 140.5 °C; (19)Enthalpy of Vaporization: 61.14 kJ/mol; (20)Boiling Point: 365.1 °C at 760 mmHg; (21)Vapour Pressure: 1.61E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by piperazine and chloro-diphenyl-methane. This reaction will need reagent ethanol. The reaction time is 24 hours by heating. The yield is about 56%.

Uses of 1-(Diphenylmethyl)piperazine: it can be used to produce 1-benzhydryl-4-butyl-piperazine by heating. It will need reagent K₂CO₃ and solvent acetonitrile with reaction time of 3 hours. The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cccc1)C(c2ccccc2)N3CCNCC3
(2)InChI: InChI=1/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2
(3)InChIKey: NWVNXDKZIQLBNM-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2
(5)Std. InChIKey: NWVNXDKZIQLBNM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	38mg/kg (38mg/kg)		Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 31, Pg. 453, 1972.
mouse	LD50	oral	200mg/kg (200mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT	Toksikologicheskii Vestnik. Vol. (2), Pg. 28, 1997.
rat	LD50	oral	500mg/kg (500mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT	Toksikologicheskii Vestnik. Vol. (2), Pg. 28, 1997.