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CAS No.: | 207613-06-7 |
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Name: | N-(carboxymethyl)-N-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl) |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H14N2O6 |
Molecular Weight: | 270.242 |
Synonyms: | N-(carboxymethyl)-N-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl);N-(carboxymethyl)-N-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)propyl]-glycine |
Density: | 1.479 g/cm3 |
Boiling Point: | 536.189 °C at 760 mmHg |
Flash Point: | 278.077 °C |
PSA: | 115.22000 |
LogP: | -1.28940 |
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The Glycine, N-(carboxymethyl)-N-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)propyl]-, with CAS registry number 207613-06-7, has the systematic name of 2-[carboxymethyl-[3-(2,5-dioxopyrrol-1-yl)propyl]amino]acetic acid. And the chemical formula of this chemical is C11H14N2O6.
Physical properties of Glycine, N-(carboxymethyl)-N-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)propyl]-: (1)ACD/LogP: 0.11; (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: 8; (10)Polar Surface Area: 115.22 Å2; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 61.22 cm3; (13)Molar Volume: 182.678 cm3; (14)Polarizability: 24.269×10-24cm3; (15)Surface Tension: 74.13 dyne/cm; (16)Density: 1.479 g/cm3; (17)Flash Point: 278.077 °C; (18)Enthalpy of Vaporization: 88.906 kJ/mol; (19)Boiling Point: 536.189 °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)CCCN(CC(=O)O)CC(=O)O
(2)InChI: InChI=1/C11H14N2O6/c14-8-2-3-9(15)13(8)5-1-4-12(6-10(16)17)7-11(18)19/h2-3H,1,4-7H2,(H,16,17)(H,18,19)
(3)InChIKey: FREGREMQHCNLKU-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H14N2O6/c14-8-2-3-9(15)13(8)5-1-4-12(6-10(16)17)7-11(18)19/h2-3H,1,4-7H2,(H,16,17)(H,18,19)
(5)Std. InChIKey: FREGREMQHCNLKU-UHFFFAOYSA-N