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445390-53-4

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Basic Information
CAS No.: 445390-53-4
Name: N-(carboxymethyl)-N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)hexyl]- Glycine
Molecular Structure:
Molecular Structure of 445390-53-4 (N-(carboxymethyl)-N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)hexyl]- Glycine)
Formula: C14H20N2O6
Molecular Weight: 312.3184
Synonyms: 2,2'-{[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexyl]imino}diacetic acid;
Density: 1.345 g/cm3
Boiling Point: 553.772 °C at 760 mmHg
Flash Point: 288.711 °C
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Specification

The Glycine, N-(carboxymethyl)-N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)hexyl]-, with the CAS registry number 445390-53-4, is also known as 2,2'-{[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexyl]imino}diacetic acid. This chemical's molecular formula is C14H20N2O6 and molecular weight is 312.3184. Its systematic name is called 2-[carboxymethyl-[6-(2,5-dioxopyrrol-1-yl)hexyl]amino]acetic acid.

Physical properties of Glycine, N-(carboxymethyl)-N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)hexyl]-: (1)ACD/LogP: 1.41; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 8; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 11; (9)Index of Refraction: 1.56; (10)Molar Refractivity: 75.118 cm3; (11)Molar Volume: 232.198 cm3; (12)Surface Tension: 63.802 dyne/cm; (13)Density: 1.345 g/cm3; (14)Flash Point: 288.711 °C; (15)Enthalpy of Vaporization: 91.257 kJ/mol; (16)Boiling Point: 553.772 °C at 760 mmHg; (17)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)CCCCCCN(CC(=O)O)CC(=O)O
(2)InChI: InChI=1/C14H20N2O6/c17-11-5-6-12(18)16(11)8-4-2-1-3-7-15(9-13(19)20)10-14(21)22/h5-6H,1-4,7-10H2,(H,19,20)(H,21,22)
(3)InChIKey: OIERFUKSHOFFGX-UHFFFAOYAR