Piperazine, 1- (3-chlorophenyl)-, monohydrochloride

The IUPAC name of this chemical is 1-(3-chlorophenyl)piperazine hydrochloride. With the CAS registry number 13078-15-4 and EINECS 235-976-9, it is also named as Piperazine, 1-(3-chlorophenyl)-, monohydrochloride. The product's categories are Piperidines, Piperidones, Piperazines; Piperazine Derivates. It is white powder which is hygroscopic. Additionally, this chemical should be sealed in the container and stored in the cool, well-ventilated and dry place. When heated to decomposition it emits toxic vapors of NO_x, HCl, and Cl⁻.

The other characteristics of 1-(3-Chlorophenyl)piperazine hydrochloride can be summarized as: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.77; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 25.61; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å²; (13)Flash Point: 157.2 °C; (14)Enthalpy of Vaporization: 57.95 kJ/mol; (15)Boiling Point: 336.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000112 mmHg at 25°C; (17)Rotatable Bond Count: 1; (18)Exact Mass: 232.053404; (19)MonoIsotopic Mass: 232.053404; (20)Topological Polar Surface Area: 15.3; (21)Heavy Atom Count: 14; (22)Complexity: 157.

People can use the following data to convert to the molecule structure. 
1. SMILES:Cl.Clc1cc(ccc1)N2CCNCC2
2. InChI:InChI=1/C10H13ClN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H 
3. InChIKey:MHXPYWFZULXYHT-UHFFFAOYAO

The following are the toxicity data which has been tested.