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CAS No.: | 76360-66-2 |
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Name: | 1-Allyl-7-phenyl-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione |
Molecular Structure: | |
Formula: | C15H11N3O3 |
Molecular Weight: | 281.27 |
Synonyms: | 7-Phenyl-1-prop-2-en-1-yl-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione; |
Density: | 1.325 g/cm3 |
Boiling Point: | 387 °C at 760 mmHg |
Flash Point: | 187.9 °C |
PSA: | 77.99000 |
LogP: | 1.59770 |
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The CAS registry number of 1-Allyl-7-phenyl-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione is 76360-66-2. The systematic name is 7-phenyl-1-prop-2-en-1-yl-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione. In addition, the molecular formula is C15H11N3O3 and the molecular weight is 281.27. What's more, it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 9.55; (5)ACD/BCF (pH 7.4): 9.55; (6)ACD/KOC (pH 5.5): 175.06; (7)ACD/KOC (pH 7.4): 175.06; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.39 Å2; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 73.7 cm3; (13)Molar Volume: 212.2 cm3; (14)Polarizability: 29.21 ×10-24cm3; (15)Surface Tension: 56.5 dyne/cm; (16)Density: 1.325 g/cm3; (17)Flash Point: 187.9 °C; (18)Enthalpy of Vaporization: 63.61 kJ/mol; (19)Boiling Point: 387 °C at 760 mmHg; (20)Vapour Pressure: 3.39E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC(=O)N(CC=C)c1nc(ncc12)c3ccccc3
(2)InChI: InChI=1/C15H11N3O3/c1-2-8-18-13-11(14(19)21-15(18)20)9-16-12(17-13)10-6-4-3-5-7-10/h2-7,9H,1,8H2
(3)InChIKey: GGKUZJDSFNXJIF-UHFFFAOYAV