Tetramethyl 1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetate supplier

Name
BAPTA-tetramethyl Ester
EINECS
CAS No. 125367-34-2
Article Data2
CAS DataBase
Density 1.267 g/cm³
Solubility
Melting Point 93-95 °C
Formula C₂₆H₃₂N₂O₁₀
Boiling Point 619.178 °C at 760 mmHg
Molecular Weight 532.547
Flash Point 328.267 °C
Transport Information
Appearance White crystalline solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 130.14000
LogP 1.44920

Tetramethyl 1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetate Specification

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

Product Name

BAPTA-tetramethyl Ester

Tetramethyl 1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetate Specification

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