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1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid

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Name

1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid

EINECS N/A
CAS No. 85233-19-8 Density 1.494 g/cm3
PSA 174.14000 LogP 1.09560
Solubility Soluble in water and sodium bicarbonate. Melting Point 177-179 °C
Formula C22H24N2O10 Boiling Point 766.6 °C at 760 mmHg
Molecular Weight 476.44 Flash Point 417.4 °C
Transport Information N/A Appearance white solid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 85233-19-8 (BAPTA) Hazard Symbols IrritantXi
Synonyms

1,2-Bis(o-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid;BAPTA;Ca(II)-bapta;2,2',2'',2'''-[Ethane-1,2-diylbis(oxybenzene-2,1-diylnitrilo)]tetraacetic acid;

Article Data 1

1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid Specification

The Glycine,N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)-, with the CAS registry number 85233-19-8, is also known as 1,2-Bis(o-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid. It belongs to the product categories of Chelating Agents & Ligands; Fluorescent Labels & Indicators. This chemical's molecular formula is C22H24N2O10 and molecular weight is 476.43. What's more, its IUPAC name is 2-[2-[2-[2-[bis(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid. Its classification codes are: (1)Chelating agents; (2)Indicators and reagents. It should be sealed and stored in a cool and dry place. What's more, it should be protected from oxides. It is used as a highly selective calcium chelating reagent.

Physical properties of Glycine,N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)- are: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.95; (4)ACD/LogD (pH 7.4): -6.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 15 ; (12)Polar Surface Area: 130.14 Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 117.23 cm3; (15)Molar Volume: 318.8 cm3; (16)Polarizability: 46.47×10-24cm3; (17)Surface Tension: 77.5 dyne/cm; (18)Density: 1.494 g/cm3; (19)Flash Point: 417.4 °C; (20)Enthalpy of Vaporization: 117.1 kJ/mol; (21)Boiling Point: 766.6 °C at 760 mmHg; (22)Vapour Pressure: 1.03E-24 mmHg at 25°C.

Uses of Glycine,N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)-: it can be used to produce 1,2-Bis(o-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid anhydride at the temperature of 60 - 70 °C. It will need reagents acetic anhydride, pyridine with the reaction time of 1 hour. The yield is about 76%.

Glycine,N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)- can be used to produce 1,2-Bis(o-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid anhydride at the temperature of 60 - 70 °C

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)N(CC(=O)O)CC(=O)O)OCCOC2=CC=CC=C2N(CC(=O)O)CC(=O)O
(2)InChI: InChI=1S/C22H24N2O10/c25-19(26)11-23(12-20(27)28)15-5-1-3-7-17(15)33-9-10-34-18-8-4-2-6-16(18)24(13-21(29)30)14-22(31)32/h1-8H,9-14H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
(3)InChIKey: FTEDXVNDVHYDQW-UHFFFAOYSA-N

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