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55476-36-3

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Basic Information
CAS No.: 55476-36-3
Name: 5-(DIETHYLAMINO)URACIL
Molecular Structure:
Molecular Structure of 55476-36-3 (5-(DIETHYLAMINO)URACIL)
Formula: C8H13N3O2
Molecular Weight: 183.21
Synonyms: Uracil,5-diethylamino- (6CI);5-(Diethylamino)uracil;
Density: 1.2 g/cm3
PSA: 68.96000
LogP: -0.09060
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Specification

The 2,4(1H,3H)-Pyrimidinedione,5-(diethylamino)-, with the CAS registry number 55476-36-3, is also known as 5-(Diethylamino)uracil. This chemical's molecular formula is C8H13N3O2 and molecular weight is 183.21. Its systematic name is called 5-(diethylamino)pyrimidine-2,4(1H,3H)-dione.

Physical properties of 2,4(1H,3H)-Pyrimidinedione,5-(diethylamino)-: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.58; (6)ACD/BCF (pH 7.4): 2.58; (7)ACD/KOC (pH 5.5): 68.68; (8)ACD/KOC (pH 7.4): 68.64; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 48.13 cm3; (14)Molar Volume: 151.9 cm3; (15)Surface Tension: 47 dyne/cm; (16)Density: 1.2 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(\N(CC)CC)=C/NC(=O)N1
(2)InChI: InChI=1/C8H13N3O2/c1-3-11(4-2)6-5-9-8(13)10-7(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12,13)
(3)InChIKey: QJNAQOWKHVJJHZ-UHFFFAOYAH