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CAS No.: | 73630-08-7 |
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Name: | 1,2-BIS(2-AMINOPHENOXY)ETHANE-N,N,N',N'-TETRAACETIC ACID TETRAPOTASSIUM SALT |
Molecular Structure: | |
Formula: | C22H20K4N2O10 |
Molecular Weight: | 628.79 |
Synonyms: | tetrapotassium 2,2',2'',2'''-[ethane-1,2-diylbis(oxy-2,1-phenylenenitrilo)]tetraacetate;BAPTA tetrapotassium;Bapta(K+ Salt); |
Boiling Point: | 766.6 °C at 760 mmHg |
Flash Point: | 417.4 °C |
PSA: | 185.46000 |
LogP: | -4.24320 |
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The Glycine,N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)-,tetrapotassium salt (9CI), with the CAS registry number 73630-08-7, has the systematic name of tetrapotassium 2,2',2'',2'''-[ethane-1,2-diylbis(oxybenzene-2,1-diylnitrilo)]tetraacetate. And the molecular formula of this chemical is C22H20K4N2O10. In addition, it can be stored at room temperature.
The physical properties of Glycine,N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)-,tetrapotassium salt (9CI) are as following: (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: 174.14 Å2; (13)Flash Point: 417.4 °C; (14)Enthalpy of Vaporization: 117.1 kJ/mol; (15)Boiling Point: 766.6 °C at 760 mmHg; (16)Vapour Pressure: 1.03E-24 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [K+].[K+].[K+].[K+].[O-]C(=O)CN(c2ccccc2OCCOc1ccccc1N(CC([O-])=O)CC([O-])=O)CC([O-])=O
(2)Std. InChI: InChI=1S/C22H24N2O10.4K/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);;;;/q;4*+1/p-4
(3)Std. InChIKey: MAWIDOKQOLSOFT-UHFFFAOYSA-J