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| CAS No.: | 19875-04-8 |
|---|---|
| Name: | 4(1H)-Pyrimidinone, 2-methyl- (8CI,9CI) |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C5H6N2O |
| Molecular Weight: | 110.115 |
| Synonyms: | 4(1H)-Pyrimidinone,2-methyl- (8CI,9CI);2-Methyl-4(3H)-pyrimidinone;3-Methyl-3,4-dihydro-4-pyrimidinone;4-Hydroxy-2-methylpyrimidine;NSC 69938; |
| Density: | 1.22g/cm3 |
| Melting Point: | 214 °C |
| Boiling Point: | 190.3 °C at 760 mmHg |
| Flash Point: | 68.9 °C |
| PSA: | 45.75000 |
| LogP: | 0.07830 |
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Specification
The 2-Methyl-4(3H)-pyrimidinone ,its cas register number is 19875-04-8.It also can be called as 4(3H)-Pyrimidinone,2-methyl- and the IUPAC name about this chemicals is 2-methyl-1H-pyrimidin-6-one .It belongs to the Pyrimidine. Raw materials about this chemical are Ethyl acetate-->Sodium methanolate-->Methyl formate-->Acetamidine hydrochloride .
Following are the chemical properties about 2-Methyl-4(3H)-pyrimidinone :(1)#H bond acceptors: 3 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 0 ; (4)Polar Surface Area: 32.67 Å2 ; (5)Index of Refraction: 1.576 ; (6)Molar Refractivity: 29.8 cm3 ; (7)Molar Volume: 89.9 cm3 ; (8)Polarizability: 11.81x10-24cm3 ; (9)Surface Tension: 42.8 dyne/cm ; (10)Enthalpy of Vaporization: 42.65 kJ/mol ; (11)Vapour Pressure: 0.545 mmHg at 25°C
This chemicals can be described computed from structure:
(1)Canonical SMILES: CC1=NC=CC(=O)N1
(2)InChI: InChI=1S/C5H6N2O/c1-4-6-3-2-5(8)7-4/h2-3H,1H3,(H,6,7,8)
(3)InChIKey: QWIDYOLZFAQBOB-UHFFFAOYSA-N