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CAS No.: | 125367-34-2 |
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Name: | BAPTA-tetramethyl Ester |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C26H32N2O10 |
Molecular Weight: | 532.547 |
Synonyms: | Glycine,N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(2-methoxy-2-oxoethyl)-,dimethyl ester (9CI);Tetramethyl1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetate; |
Density: | 1.267 g/cm3 |
Melting Point: | 93-95 °C |
Boiling Point: | 619.178 °C at 760 mmHg |
Flash Point: | 328.267 °C |
Appearance: | White crystalline solid |
PSA: | 130.14000 |
LogP: | 1.44920 |
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The Tetramethyl 1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetate, with the CAS registry number 125367-34-2, is also known as N,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(2-methoxy-2-oxoethyl)glycine 1,1'-dimethyl ester. It belongs to the product category of Chelating Agents & Ligands. This chemical's molecular formula is C26H32N2O10 and molecular weight is 532.54. What's more, its systematic name is Tetramethyl 2,2',2'',2'''-[1,2-ethanediylbis(oxy-2,1-phenylenenitrilo)]tetraacetate.
Physical properties of Tetramethyl 1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetate are: (1)ACD/LogP: 3.449; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 245.95; (6)ACD/BCF (pH 7.4): 246.07; (7)ACD/KOC (pH 5.5): 1790.22; (8)ACD/KOC (pH 7.4): 1791.13; (9)#H bond acceptors: 12; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 130.14 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 136.603 cm3; (15)Molar Volume: 420.301 cm3; (16)Polarizability: 54.154×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.267 g/cm3; (19)Flash Point: 328.267 °C; (20)Enthalpy of Vaporization: 91.786 kJ/mol; (21)Boiling Point: 619.178 °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(OC)CN(c2ccccc2OCCOc1ccccc1N(CC(=O)OC)CC(=O)OC)CC(=O)OC
(2)Std. InChI: InChI=1S/C26H32N2O10/c1-33-23(29)15-27(16-24(30)34-2)19-9-5-7-11-21(19)37-13-14-38-22-12-8-6-10-20(22)28(17-25(31)35-3)18-26(32)36-4/h5-12H,13-18H2,1-4H3
(3)Std. InChIKey: LCPLRKMZANZSAJ-UHFFFAOYSA-N