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25652-50-0

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Basic Information
CAS No.: 25652-50-0
Name: 2(1H)-Pyrimidinone,5-acetyl-3,4-dihydro-6-methyl-4-phenyl-
Article Data: 112
Molecular Structure:
Molecular Structure of 25652-50-0 (2(1H)-Pyrimidinone,5-acetyl-3,4-dihydro-6-methyl-4-phenyl-)
Formula: C13H14N2O2
Molecular Weight: 230.266
Synonyms: 5-Acetyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-one;5-Acetyl-6-methyl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-one;Ethanone, 1-(1,6-dihydro-2-hydroxy-4-methyl-6-phenyl-5-pyrimidinyl)-;2-Oxo-5-acetyl-6-methyl-4-phenyl-1,2,3,4-tetrahydropyrimidine;Pyrimidin-2(1H)-one, 3,4-dihydro-5-acetyl-6-methyl-4-phenyl-;
Density: 1.153 g/cm3
Melting Point: 233-236 °C
Boiling Point: 383.034 °C at 760 mmHg
Flash Point: 153.205 °C
PSA: 58.20000
LogP: 2.56110
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Specification

The 2(1H)-Pyrimidinone,5-acetyl-3,4-dihydro-6-methyl-4-phenyl- with CAS registry number of 25652-50-0 is also known as Ethanone, 1-(1,6-dihydro-2-hydroxy-4-methyl-6-phenyl-5-pyrimidinyl)-. The systematic name is 5-Acetyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-one. It belongs to product categories of Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. In addition, the formula is C13H14N2O2 and the molecular weight is 230.26.

Physical properties about 2(1H)-Pyrimidinone,5-acetyl-3,4-dihydro-6-methyl-4-phenyl- are: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 1.481; (3)ACD/LogD (pH 7.4): 1.481; (4)ACD/BCF (pH 5.5): 7.865; (5)ACD/BCF (pH 7.4): 7.863; (6)ACD/KOC (pH 5.5): 152.322; (7)ACD/KOC (pH 7.4): 152.283; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2 ; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 63.227 cm3; (13)Molar Volume: 199.722 cm3; (14)Surface Tension: 39.141 dyne/cm; (15)Density: 1.153 g/cm3; (16)Flash Point: 153.205 °C; (17)Enthalpy of Vaporization: 63.152 kJ/mol; (18)Boiling Point: 383.034 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: CC1=C(C(NC(=O)N1)c2ccccc2)C(=O)C
2. InChI: InChI=1/C13H14N2O2/c1-8-11(9(2)16)12(15-13(17)14-8)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H2,14,15,17)
3. InChIKey: HDBCLYQJIRLJOB-UHFFFAOYAQ
4. Std. InChI: InChI=1S/C13H14N2O2/c1-8-11(9(2)16)12(15-13(17)14-8)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H2,14,15,17)
5. Std. InChIKey: HDBCLYQJIRLJOB-UHFFFAOYSA-N