-
Name
o-methylisourea
- EINECS
- CAS No. 2440-60-0
- Article Data20
- CAS DataBase
- Density 1.17 g/cm3
- Solubility dissolves in water easily, not do in methanol
- Melting Point 44-45 °C
- Formula C2H6N2O
- Boiling Point 66.9 °C at 760 mmHg
- Molecular Weight 74.0824
- Flash Point 28.4°C
- Transport Information
- Appearance white crystal
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Pseudourea,2-methyl- (6CI,7CI,8CI);2-Methylpseudourea;Methoxyamidine;O-Methylisourea;O-Methylpseudourea;
- PSA 59.10000
- LogP 0.32630
O-Methylisourea Specification
The O-Methylisourea, with the CAS registry number 2440-60-0, is also known as Carbamimidic acid, methyl ester. This chemical's molecular formula is C2H6N2O and molecular weight is 74.08. What's more, both its IUPAC name and systematic name are the same which is called Methyl carbamimidate.
Physical properties about O-Methylisourea are: (1) ACD/LogP: -0.85; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.84; (4) ACD/LogD (pH 7.4): -2.69; (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 (9) #H bond acceptors: 3; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 24.83 Å2; (13) Index of Refraction: 1.444; (14) Molar Refractivity: 16.78 cm3; (15) Molar Volume: 63 cm3; (16) Surface Tension: 38.8 dyne/cm; (17) Density: 1.17 g/cm3; (18) Enthalpy of Vaporization: 30.88 kJ/mol; (19) Boiling Point: 66.9 °C at 760 mmHg; (20) Vapour Pressure: 148 mmHg at 25 °C.
Uses of O-Methylisourea: (1) it is used as synthetic organic intermediates and used in the pharmaceutical industry for production of Urea pyrimidine fluorine; (2) it is used to produce other chemicals. For example, it is used to produce 5-Hydroxy-2-methoxy-5-trifluoromethyl-3,5-dihydro-imidazol-4-one.
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The reaction occurs with reagent Diethyl ether at ambient temperature for 1 hour. The yield is 80 %.
You can still convert the following datas into molecular structure:
(1) SMILES: [N@H]=C(OC)N
(2) InChI: InChI=1/C2H6N2O/c1-5-2(3)4/h1H3,(H3,3,4)
(3) InChIKey: RMAHPRNLQIRHIJ-UHFFFAOYAW
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