Pyrimidine,2-(1-piperazinyl)-, hydrochloride (1:1) (78069-54-2)

The 1-(2-Pyrimidyl)piperazine hydrochloride, with the cas registry number 78069-54-2, has the systematic name of 2-piperazin-1-ylpyrimidine hydrochloride. And the molecular fomula of the chemical is C₈H₁₂N₄^.HCl.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 32.26 Å²; (7)Flash Point: 152.1 °C; (8)Enthalpy of Vaporization: 57.03 kJ/mol; (9)Boiling Point: 328 °C at 760 mmHg; (10)Vapour Pressure: 0.000195 mmHg at 25°C.
 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.n1cccnc1N2CCNCC2
(2)InChI: InChI=1/C8H12N4.ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;/h1-3,9H,4-7H2;1H
(3)InChIKey: NWJLHLTVRVTJGR-UHFFFAOYAD