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ethyl 2-[4,7-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate

Catalog No: FT-0767301

CAS No: 114873-52-8

Chemical Name: ethyl 2-[4,7-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Molecular Formula: C20H38N4O6
Molecular Weight: 430.5
InChI Key: BPEUICGMDOXPJJ-UHFFFAOYSA-N
InChI: InChI=1S/C20H38N4O6/c1-4-28-18(25)15-22-9-7-21-8-10-23(16-19(26)29-5-2)12-14-24(13-11-22)17-20(27)30-6-3/h21H,4-17H2,1-3H3

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	514.8ºC at 760mmHg
CAS:	114873-52-8
MF:	C20H38N4O6
Density:	1.064g/cm3
Melting_Point:	N/A
Product_Name:	1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
Flash_Point:	265.1ºC
FW:	430.53900

MF:	C20H38N4O6
Density:	1.064g/cm3
Computational_Chemistry:	['1. XlogP :05 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :12 ', '5. Isotope Atom Count :N/A ', '6. TPSA 101 ', '7. Heavy Atom Count :30 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :486 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1 . Appearance Yellow Liquid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，2mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Soluble in Water ']
Exact_Mass:	430.27900
Vapor_Pressure:	0mmHg at 25°C
Flash_Point:	265.1ºC
PSA:	100.65000
Molecular_Structure:	['1. Molar refractive index 11204 ', '2. Molar volume 4043 ', '3. Parachor （902K）9854 ', '4. Surface tension 352 ', '5. Dielectric constant N/A ', '6. Polarizability 4441 ', '7. Single isotope mass 430279135 Da ', '8. Nominal mass 430 Da ', '9. Average mass 4305389 Da']
Bolling_Point:	514.8ºC at 760mmHg
FW:	430.53900
Refractive_Index:	1.466