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2-Imidazolidone hemihydrate

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Name

2-Imidazolidone hemihydrate

EINECS 1592732-453-0
CAS No. 121325-67-5 Density 1.3 g/cm3 (20 °C)
PSA 41.13000 LogP -0.04320
Solubility 950 g/L (20 °C) in water Melting Point 58 °C
Formula C3H6N2O.1/2 H2O Boiling Point 358.7 °C at 760 mmHg
Molecular Weight 190.20 Flash Point 202.5 °C
Transport Information N/A Appearance white to pale yellow adhering crystals
Safety 36/37-26 Risk Codes 62-36
Molecular Structure Molecular Structure of 121325-67-5 (2-Imidazolidone hemihydrate) Hazard Symbols HarmfulXn
Synonyms

2-Imidazolidinone hemihydrate;Ethylene urea hemihydrate;

 

2-Imidazolidone hemihydrate Specification

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

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