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CAS No.: | 175277-33-5 |
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Name: | 4-(DIMETHOXYMETHYL)-2-METHYLPYRIMIDINE |
Molecular Structure: | |
Formula: | C8H12N2O2 |
Molecular Weight: | 168.195 |
Synonyms: | 4-Dimethoxymethyl-2-methylpyrimidine;4-(dimethoxymethyl)-2-methylpyrimidine;pyrimidine, 4-(dimethoxymethyl)-2-methyl-; |
Density: | 1.085 g/cm3 |
Boiling Point: | 202.3 °C at 760 mmHg |
Flash Point: | 72.8 °C |
Hazard Symbols: | Xi |
PSA: | 44.24000 |
LogP: | 1.07640 |
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The Pyrimidine,4-(dimethoxymethyl)-2-methyl-, with the CAS registry number 175277-33-5, has the systematic name and IUPAC name of 4-(dimethoxymethyl)-2-methylpyrimidine. It belongs to the product category of Pyrimidine series. And the molecular formula of the chemical is C8H12N2O2.
The characteristics of Pyrimidine,4-(dimethoxymethyl)-2-methyl- are as followings: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.89; (8)ACD/KOC (pH 7.4): 22.9; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.24 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 44.93 cm3; (15)Molar Volume: 154.9 cm3; (16)Polarizability: 17.81×10-24cm3; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.085 g/cm3; (19)Flash Point: 72.8 °C; (20)Enthalpy of Vaporization: 42.06 kJ/mol; (21)Boiling Point: 202.3 °C at 760 mmHg; (22)Vapour Pressure: 0.42 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(C(OC)c1nc(ncc1)C)C
(2)InChI: InChI=1/C8H12N2O2/c1-6-9-5-4-7(10-6)8(11-2)12-3/h4-5,8H,1-3H3
(3)InChIKey: VDXHJWMLYFVGDL-UHFFFAOYAX