tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate

Catalog No: FT-0744473

CAS No: 122555-91-3

Chemical Name: tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Molecular Formula: C26H50N4O6
Molecular Weight: 514.7
InChI Key: NMHVTLJFPDOJOD-UHFFFAOYSA-N
InChI: InChI=1S/C26H50N4O6/c1-24(2,3)34-21(31)18-28-12-10-27-11-13-29(19-22(32)35-25(4,5)6)15-17-30(16-14-28)20-23(33)36-26(7,8)9/h27H,10-20H2,1-9H3

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:	561.6±50.0 °C at 760 mmHg
CAS:	122555-91-3
MF:	C26H50N4O6
Density:	1.0±0.1 g/cm3
Melting_Point:	N/A
Product_Name:	DO3A tert-Butyl ester
Flash_Point:	293.4±30.1 °C
FW:	514.698

MF:	C26H50N4O6
Density:	1.0±0.1 g/cm3
Computational_Chemistry:	['1. XlogP :24 ', '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 :36 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :665 ', '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 White or 奶油色的粉末 ', '2 . Density（g/mL,20℃）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,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 不可Soluble in Water ']
Exact_Mass:	514.373047
Vapor_Pressure:	0.0±1.5 mmHg at 25°C
Flash_Point:	293.4±30.1 °C
PSA:	100.65000
Molecular_Structure:	['1. Molar refractive index 13973 ', '2. Molar volume 5034 ', '3. Parachor （902K）12147 ', '4. Surface tension 338 ', '5. Dielectric constant N/A ', '6. Polarizability 5539 ', '7. Single isotope mass 514373035 Da ', '8. Nominal mass 514 Da ', '9. Average mass 5146984 Da']
LogP:	4.21
Bolling_Point:	561.6±50.0 °C at 760 mmHg
FW:	514.698
Refractive_Index:	1.467