2-Imidazolidinone,hydrate (2:1) (121325-67-5)

The 2-Imidazolidone hemihydrate, with the cas registry number 121325-67-5, has the IUPAC name of imidazolidin-2-one. Besides, this chemical is white to pale yellow adhering crystals, and it is hygroscopic.

The characteristics of this chemical are as followings: (1)ACD/LogP: -1.23; (2)ACD/LogD (pH 5.5): -1.23; (3)ACD/LogD (pH 7.4): -1.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.1; (7)ACD/KOC (pH 7.4): 5.1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 23.55; (11)Flash Point: 202.5 °C; (12)Enthalpy of Vaporization: 60.42 kJ/mol; (13)Boiling Point: 358.7 °C at 760 mmHg; (14)Vapour Pressure: 2.5E-05 mmHg at 25°C; (15)Exact Mass: 86.048013; (16)MonoIsotopic Mass: 86.048013; (17)Topological Polar Surface Area: 41.1; (18)Heavy Atom Count: 6; (19)Complexity: 63.2. 

You should be cautious while dealing with this chemical. Being a kind of irritant chemical to eyes, it may also cause damage to health, and even has possible risk of impaired fertility. So you had better take the following instructions. Wear suitable protective clothing and gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:O=C1NCCN1.O=C1NCCN1.O
(2)InChI:InChI=1/2C3H6N2O.H2O/c2*6-3-4-1-2-5-3;/h2*1-2H2,(H2,4,5,6);1H2
(3)InChIKey:KPRJGGOOWATRNT-UHFFFAOYAE