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Name |
1-Imidazolidineacetic acid, -alpha-,4-dimethyl-2,5-dioxo- |
EINECS | N/A |
CAS No. | 556080-37-6 | Density | 1.184 g/cm3 |
PSA | 90.20000 | LogP | -1.02230 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H14N2O4 | Boiling Point | N/A |
Molecular Weight | 186.167 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanoate; |
The 1-Imidazolidineacetic acid, -alpha-,4-dimethyl-2,5-dioxo- is an organic compound with the formula C9H14N2O4. The systematic name of this chemical is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanoate. With the CAS registry number 556080-37-6, it is also named as 4-Imidazolidineacetic acid, α,4-dimethyl-2,5-dioxo-, ethyl ester.
Physical properties about 1-Imidazolidineacetic acid, -alpha-,4-dimethyl-2,5-dioxo- are: (1)ACD/LogP: 0.06 ; (2)ACD/LogD (pH 5.5): 0.06; (3)ACD/LogD (pH 7.4): 0.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.69; (7)ACD/KOC (pH 7.4): 25.21; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.92 Å2; (12)Index of Refraction: 1.468; (13)Molar Refractivity: 50.31 cm3; (14)Molar Volume: 180.8 cm3; (15)Polarizability: 19.94×10-24cm3; (16)Surface Tension: 37.5 dyne/cm; (17)Density: 1.184 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)NC1(C(C(=O)OCC)C)C
(2)InChI: InChI=1/C9H14N2O4/c1-4-15-6(12)5(2)9(3)7(13)10-8(14)11-9/h5H,4H2,1-3H3,(H2,10,11,13,14)
(3)InChIKey: NPRQVWZNMLUZIN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H14N2O4/c1-4-15-6(12)5(2)9(3)7(13)10-8(14)11-9/h5H,4H2,1-3H3,(H2,10,11,13,14)
(5)Std. InChIKey: NPRQVWZNMLUZIN-UHFFFAOYSA-N