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Name |
Benzeneacetic acid, a-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxy- |
EINECS | 279-328-3 |
CAS No. | 79868-75-0 | Density | 1.456 g/cm3 |
PSA | 127.25000 | LogP | 0.18490 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H17N3O6 | Boiling Point | N/A |
Molecular Weight | 335.316 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
)-α-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxybenzeneacetic acid;Einecs 279-328-3 |
Article Data | 2 |
The Benzeneacetic acid, a-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxy- is an organic compound with the formula C15H17N3O6. The IUPAC name of this chemical is 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid. With the CAS registry number 79868-75-0, it is also named as {[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}(4-hydroxyphenyl)acetic acid.
Physical properties about Benzeneacetic acid, a-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxy- are: (1)ACD/LogP: 0.80; (2)ACD/LogD (pH 5.5): -1.39; (3)ACD/LogD (pH 7.4): -2.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 9; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 96.46 Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 80.53 cm3; (14)Molar Volume: 230.2 cm3; (15)Polarizability: 31.92×10-24cm3; (16)Surface Tension: 70.2 dyne/cm; (17)Density: 1.456 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(c1ccc(O)cc1)NC(=O)N2C(=O)C(=O)N(CC)CC2
(2)InChI: InChI=1/C15H17N3O6/c1-2-17-7-8-18(13(21)12(17)20)15(24)16-11(14(22)23)9-3-5-10(19)6-4-9/h3-6,11,19H,2,7-8H2,1H3,(H,16,24)(H,22,23)
(3)InChIKey: IPARGUVYMOMVNU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C15H17N3O6/c1-2-17-7-8-18(13(21)12(17)20)15(24)16-11(14(22)23)9-3-5-10(19)6-4-9/h3-6,11,19H,2,7-8H2,1H3,(H,16,24)(H,22,23)
(5)Std. InChIKey: IPARGUVYMOMVNU-UHFFFAOYSA-N