1-(2-hydroxyethyl)-2-imidazolidinone (3699-54-5)

The 1-(2-Hydroxyethyl)-2-imidazolidinone with the cas number 3699-54-5 is also called 2-Imidazolidinone,1-(2-hydroxyethyl)-. Both the systematic name and IUPAC name are 1-(2-hydroxyethyl)imidazolidin-2-one. Its EINECS registry number is 223-032-9. The molecular formula is C₅H₁₀N₂O₂. This chemical belongs to the following product categories: (1)Building Blocks; (2)Heterocyclic Building Blocks; (3)Imidazolines/Imidazolidines.

The properties of the chemical are: (1)ACD/LogP: -1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.05; (4)ACD/LogD (pH 7.4): -1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.43; (8)ACD/KOC (pH 7.4): 6.43; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 31.74 cm³; (15)Molar Volume: 107.3 cm³; (16)Polarizability: 12.58×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Enthalpy of Vaporization: 75.24 kJ/mol; (19)Vapour Pressure: 4.57×10^-8 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 2-(2-amino-ethylamino)-ethanol and carbon dioxide. This reaction needs catalyst Ph₃SbO, P₄S10 and solvent benzene at temperature of 150°C. The reaction time is 24 hours. The yield is 95%. The pressure of this reaction is 36752.9.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCCN1CCO
(2)InChI: InChI=1/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)
(3)InChIKey: HBAIZGPCSAAFSU-UHFFFAOYAG