1-(2-Chloroethyl)pyrrolidine (5050-41-9)

The 1-(2-Chloroethyl)pyrrolidine, with the cas registry number 5050-41-9, is also called 1-(2-Chloro-ethyl)-pyrrolidine hydrochloride. And the molecular formula of the chemical is C₆H₁₂ClN.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.67; (4)ACD/LogD (pH 7.4): -0.59; (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): 1.48; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 36.18 cm³; (15)Molar Volume: 128.7 cm³; (16)Polarizability: 14.34×10^-24cm³; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.037 g/cm³; (19)Flash Point: 56.9 °C; (20)Enthalpy of Vaporization: 40.69 kJ/mol; (21)Boiling Point: 170.5 °C at 760 mmHg; (22)Vapour Pressure: 1.47 mmHg at 25°C.

Uses of 1-(2-Chloroethyl)pyrrolidine: It can react with 2-pyrrolidin-1-yl-ethanol to produce bis-(2-pyrrolidino-ethyl)-ether. This reaction will need reagent 50% NaOH, catalyst Adogen 464, and the menstruum tetrahydrofuran. The reaction time is 6 hours with heating, and the yield is about 40%.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCCN1CCCC1
(2)InChI: InChI=1/C6H12ClN/c7-3-6-8-4-1-2-5-8/h1-6H2
(3)InChIKey: RMGFLMXDCGQKPS-UHFFFAOYAZ