CAS No.2518-72-1,5-ethylbarbituric acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2518-72-1
Name:	5-ethylbarbituric acid
Article Data:	35

Formula:	C₆H₈N₂O₃
Molecular Weight:	156.141
Synonyms:	Barbituricacid, 5-ethyl- (6CI,7CI,8CI);5-Ethylbarbituric acid;NSC 27274;NSC 66908;
EINECS:	219-743-9
Density:	1.243 g/cm³
Melting Point:	225-226 °C
PSA:	75.27000
LogP:	0.03620

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Specification

The 5-Ethylbarbituric acid, with the cas registry number of 2518-72-1, is also known as 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl- and Barbituric acid, 5-ethyl-. Its EINECS number is 219-743-9. This chemical's molecular formula is C₆H₈N₂O₃ and formula weight is 156.14. What's more, both its IUPAC name and systematic name are the same which is called 5-Ethylpyrimidine-2,4,6(1H,3H,5H)-trione.

Physical properties about this chemical are: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.52; (4)ACD/LogD (pH 7.4): -1.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.34; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.69 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 34.86 cm³; (15)Molar Volume: 125.5 cm³; (16)Surface Tension: 37.4 dyne/cm; (17)Density: 1.243 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)NC(=O)C1CC;
(2)InChI: InChI=1/C6H8N2O3/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11);
(3)InChIKey: FMTLDVACNZDTQL-UHFFFAOYAN.