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CAS No.: | 207612-92-8 |
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Name: | N-(carboxymethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]- Glycine |
Molecular Structure: | |
Formula: | C10H12N2O6 |
Molecular Weight: | 256.2121 |
Synonyms: | N-(carboxymethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]- Glycine |
Density: | 1.542 g/cm3 |
Boiling Point: | 529.892 °C at 760 mmHg |
Flash Point: | 274.269 °C |
PSA: | 115.22000 |
LogP: | -1.67950 |
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The Glycine,N-(carboxymethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]-, with CAS registry number 207612-92-8, has the systematic name of 2-[carboxymethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid. Besides this, it is also called N-(carboxymethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]- Glycine. And the chemical formula of this chemical is C10H12N2O6.
Physical properties of Glycine,N-(carboxymethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]-: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 115.22 Å2; (11)Index of Refraction: 1.597; (12)Molar Refractivity: 56.587 cm3; (13)Molar Volume: 166.171 cm3; (14)Polarizability: 22.433×10-24cm3; (15)Surface Tension: 79.347 dyne/cm; (16)Density: 1.542 g/cm3; (17)Flash Point: 274.269 °C; (18)Enthalpy of Vaporization: 88.069 kJ/mol; (19)Boiling Point: 529.892 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC(=O)N(C1=O)CCN(CC(=O)O)CC(=O)O
(2)InChI: InChI=1/C10H12N2O6/c13-7-1-2-8(14)12(7)4-3-11(5-9(15)16)6-10(17)18/h1-2H,3-6H2,(H,15,16)(H,17,18)
(3)InChIKey: YXZKLBWQSVZIDK-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H12N2O6/c13-7-1-2-8(14)12(7)4-3-11(5-9(15)16)6-10(17)18/h1-2H,3-6H2,(H,15,16)(H,17,18)
(5)Std. InChIKey: YXZKLBWQSVZIDK-UHFFFAOYSA-N