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| CAS No.: | 2078-71-9 |
|---|---|
| Name: | Urea,N-(2-hydroxyethyl)- |
| Article Data: | 17 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C3H8N2O2 |
| Molecular Weight: | 104.109 |
| Synonyms: | Urea,(2-hydroxyethyl)- (6CI,7CI,8CI,9CI);(2-Hydroxyethyl)urea;(b-Hydroxyethyl)urea;1-(2-Hydroxyethyl)urea;Hydrovance;Monoethanolurea;Monoethylolurea;N-(2-Hydroxyethyl)urea;N-(b-Hydroxyethyl)urea;NSC 1127; |
| EINECS: | 640-848-4 |
| Density: | 1.222 g/cm3 |
| Melting Point: | 164-169 °C |
| Boiling Point: | 254.324 °C at 760 mmHg |
| Flash Point: | 107.612 °C |
| Solubility: | almost transparency |
| Appearance: | White crystalline powder |
| Hazard Symbols: | N/A |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| Transport Information: | N/A |
| PSA: | 75.35000 |
| LogP: | -0.26180 |
<2-(trimethylsilyloxy)ethyl>urea
(2-hydroxyethyl)urea
| Conditions | Yield |
|---|---|
| With methanol; water for 1h; Heating; | 100% |
N-<2-(trimethylsiloxy)ethyl>-N'-(trimethylsilyl)urea
(2-hydroxyethyl)urea
| Conditions | Yield |
|---|---|
| With methanol; water for 1h; Heating; | 100% |
| Conditions | Yield |
|---|---|
| In ethanol for 48h; | 85% |
| Conditions | Yield |
|---|---|
| Stage #1: potassium cyanate; ethanolamine In water for 0.333333h; Heating; Stage #2: With hydrogenchloride In water at 20℃; for 7h; | 80% |
| With hydrogenchloride In water |
| Conditions | Yield |
|---|---|
| With ammonia In formic acid at 115℃; for 3.5h; Temperature; Industrial scale; | 78% |
| In N,N-dimethyl-formamide at 105℃; for 24h; |
| Conditions | Yield |
|---|---|
| In water at 85 - 90℃; for 1h; | 68% |
| In water |
oxirane
urea
A
dimethylenecyclourethane
B
(2-hydroxyethyl)urea
C
carbamic acid-(2-amino-ethyl ester)
| Conditions | Yield |
|---|---|
| at 136℃; |
| Conditions | Yield |
|---|---|
| at 136℃; |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In ethanol |
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The Urea,N-(2-hydroxyethyl)- with CAS registry number 2078-71-9 belongs to the classes of Carbonyl Compounds; Organic Building Blocks; Ureas. The IUPAC name is 1-(2-hydroxyethyl)urea. In addition, the molecular formula is C3H8N2O2 and the molecular weight is 104.108.
Physical properties about this chemical are: (1)ACD/LogP: -1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.86; (4)ACD/LogD (pH 7.4): -1.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.33; (8)ACD/KOC (pH 7.4): 2.33; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 24.64 cm3; (15)Molar Volume: 85.1 cm3; (16)Polarizability: 9.76×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.222 g/cm3; (19)Flash Point: 107.6 °C; (20)Enthalpy of Vaporization: 57.13 kJ/mol; (21)Boiling Point: 254.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00266 mmHg at 25°C.
Preparation of Urea,N-(2-hydroxyethyl)-: it can be prepared by Ethanolamine and Carbamide. You can add the diethanolamine into the reaction pot at first, then add the ureawith with stirring. You should heat the mixture to 110-115 °C for 4 hours, cool the product at last.
Uses of Urea,N-(2-hydroxyethyl)-: it can be used for the intermediate of Furazolidone. And it can be used to produce 3-nitroso-oxazolidin-2-one. This reaction will need reagent NOCl and solvent CHCl3. The yield is about 42% at reaction temperature of 0 °C.
-.bmp)
When you are using this chemical, please be cautious about it as the following:
It irritates to eyes, respiratory system and skin. When use it, you should wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)NCCO
(2)InChI: InChI=1/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)
(3)InChIKey: CLAHOZSYMRNIPY-UHFFFAOYAJ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 7280mg/kg (7280mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacology and Experimental Therapeutics. Vol. 54, Pg. 188, 1935 |
