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6021-71-2

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Basic Information
CAS No.: 6021-71-2
Name: Benzeneacetic acid, α,α'-(1,2-ethanediyldiimino)bis[2-hydroxy-
Molecular Structure:
Molecular Structure of 6021-71-2 (Benzeneacetic acid, α,α'-(1,2-ethanediyldiimino)bis[2-hydroxy-)
Formula: C18H20N2O6
Molecular Weight: 360.13
Synonyms: 2-[2-[[Carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid;Benzeneacetic acid, alpha,alpha-(1,2-ethanediyldiimino)bis(2-hydroxy-;Ethylenediamine-N,N-bis((2-hydroxyphenyl)acetic acid);Ethylenediamine-di(2-hydroxyphenyl)acetic acid;Ethylenediamine-di(o-hydroxyphenyl)acetic acid;Ethylenediamine-N,N-bis(2-hydroxyphenylacetic acid);Benzeneacetic acid, alpha,alpha-(1,2-ethanediyldiimino)bis(2-hydroxy-, iron(3+) salt;
Density: 1.418 g/cm3
Boiling Point: 620.278 °C at 760 mmHg
Flash Point: 328.932 °C
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Specification

The N,N-Ethylenebis(2-(o-hydroxyphenyl)glycine), with the CAS registry number 6021-71-2, is also known as Ethylenediamine-N,N-bis((2-hydroxyphenyl)acetic acid). This chemical's molecular formula is C18H20N2O6 and molecular weight is 360.13. What's more, its systematic name is 2,2'-(1,2-Ethanediyldiimino)bis[(2-hydroxyphenyl)acetic acid].

Physical properties of N,N-Ethylenebis(2-(o-hydroxyphenyl)glycine) are: (1)ACD/LogP: 3.876; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 5.31; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 139.12 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 92.909 cm3; (15)Molar Volume: 254.219 cm3; (16)Polarizability: 36.832×10-24cm3; (17)Surface Tension: 72.58 dyne/cm; (18)Density: 1.418 g/cm3; (19)Flash Point: 328.932 °C; (20)Enthalpy of Vaporization: 96.641 kJ/mol; (21)Boiling Point: 620.278 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NCCNC(c1ccccc1O)C(=O)O)c2ccccc2O
(2)Std. InChI: InChI=1S/C18H20N2O6/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26)
(3)Std. InChIKey: PZZHMLOHNYWKIK-UHFFFAOYSA-N