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| CAS No.: | 94201-56-6 |
|---|---|
| Name: | N-(hexahydro-2,4-dioxo-5-pyrimidinyl)formamide |
| Molecular Structure: | |
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| Formula: | C5H7N3O3 |
| Molecular Weight: | 157.12738 |
| Synonyms: | N-(Hexahydro-2,4-dioxo-5-pyrimidinyl)formamide; |
| EINECS: | 303-643-8 |
| Density: | 1.44 g/cm3 |
| PSA: | 97.77000 |
| LogP: | -1.30340 |
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Specification
The Formamide,N-(hexahydro-2,4-dioxo-5-pyrimidinyl)-, with the CAS registry number 94201-56-6, is also known as N-(Hexahydro-2,4-dioxo-5-pyrimidinyl)formamide. Its EINECS registry number is 303-643-8. This chemical's molecular formula is C5H7N3O3 and molecular weight is 157.12738. Its IUPAC name is called N-(2,4-dioxo-1,3-diazinan-5-yl)formamide.
Physical properties of Formamide,N-(hexahydro-2,4-dioxo-5-pyrimidinyl)-: (1)ACD/LogP: -1.61; (2)ACD/LogD (pH 5.5): -1.61; (3)ACD/LogD (pH 7.4): -1.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.18; (7)ACD/KOC (pH 7.4): 3.18; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 34.65 cm3; (13)Molar Volume: 108.4 cm3; (14)Surface Tension: 60.5 dyne/cm; (15)Density: 1.44 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C(=O)NC(=O)N1)NC=O
(2)InChI: InChI=1S/C5H7N3O3/c9-2-7-3-1-6-5(11)8-4(3)10/h2-3H,1H2,(H,7,9)(H2,6,8,10,11)
(3)InChIKey: MDYKHCIVCWSONE-UHFFFAOYSA-N