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19845-24-0

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Basic Information
CAS No.: 19845-24-0
Name: 1-Methyl-6,7-diphenyllumazine
Molecular Structure:
Molecular Structure of 19845-24-0 (1-Methyl-6,7-diphenyllumazine)
Formula: C19H14N4O2
Molecular Weight: 330.346
Synonyms: Lumazine,1-methyl-6,7-diphenyl- (6CI,7CI,8CI);1-Methyl-6,7-diphenyllumazine;NSC 281794;
Density: 1.303 g/cm3
Melting Point: 263-264 °C
PSA: 80.64000
LogP: 2.35080
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Specification

The 2,4(1H,3H)-Pteridinedione,1-methyl-6,7-diphenyl-, also known as NSC281794, is an organic compound with the formula C19H14N4O2. With the CAS registry number 19845-24-0, its IUPAC name is 1-methyl-6,7-diphenylpteridine-2,4-dione.

Physical properties of 2,4(1H,3H)-Pteridinedione,1-methyl-6,7-diphenyl-: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 1.9; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 16.29; (5)ACD/BCF (pH 7.4): 10.81; (6)ACD/KOC (pH 5.5): 256.02; (7)ACD/KOC (pH 7.4): 169.87; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.638; (12)Molar Refractivity: 91.06 cm3; (13)Molar Volume: 253.3 cm3; (14)Surface Tension: 55.8 dyne/cm; (15)Density: 1.303 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C2=C(C(=O)NC1=O)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
(2)InChI: InChI=1S/C19H14N4O2/c1-23-17-16(18(24)22-19(23)25)20-14(12-8-4-2-5-9-12)15(21-17)13-10-6-3-7-11-13/h2-11H,1H3,(H,22,24,25)
(3)InChIKey: JJLIMGNICCMQHD-UHFFFAOYSA-N