CAS No.2440-60-0,o-methylisourea Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2440-60-0
Name:	o-methylisourea
Article Data:	20

Formula:	C₂H₆N₂O
Molecular Weight:	74.0824
Synonyms:	Pseudourea,2-methyl- (6CI,7CI,8CI);2-Methylpseudourea;Methoxyamidine;O-Methylisourea;O-Methylpseudourea;
Density:	1.17 g/cm³
Melting Point:	44-45 °C
Boiling Point:	66.9 °C at 760 mmHg
Flash Point:	28.4°C
Solubility:	dissolves in water easily, not do in methanol
Appearance:	white crystal
PSA:	59.10000
LogP:	0.32630

Total:27 Page 1 of 1 1

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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.

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