Methanone,1-piperazinyl-1-pyrrolidinyl- (73331-93-8)

The Piperazin-1-ylpyrrolidin-1-ylmethanone, with the CAS registry number 73331-93-8, has the systematic name of 1-(pyrrolidin-1-ylcarbonyl)piperazine. It is a kind of irritant chemical, so you should be cautious while dealing with it. And it belongs to the product categoty of Piperidine. The molecular formula of the chemical is C₉H₁₇N₃O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.87; (4)ACD/LogD (pH 7.4): -0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 11.91; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.79 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 49.94 cm³; (15)Molar Volume: 160.6 cm³; (16)Polarizability: 19.79×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 133.4 °C; (20)Enthalpy of Vaporization: 53.68 kJ/mol; (21)Boiling Point: 297 °C at 760 mmHg; (22)Vapour Pressure: 0.00139 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N1CCCC1)N2CCNCC2
(2)InChI: InChI=1/C9H17N3O/c13-9(11-5-1-2-6-11)12-7-3-10-4-8-12/h10H,1-8H2
(3)InChIKey: YKELOMQESZMHBK-UHFFFAOYAB