DOTA


Catalog No:   FT-0606756

CAS No:   60239-18-1

  • Molecular Formula:  404.42
  • Formula Weight: C16H28N4O8
  • Inchl Key: WDLRUFUQRNWCPK-UHFFFAOYSA-N
  • Inchl: InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Bolling_Point: 701.6±60.0 °C at 760 mmHg
MF: C16H28N4O8
Density: 1.3±0.1 g/cm3
FW: 404.415
Product_Name: DOTA
CAS: 60239-18-1
Flash_Point: 378.1±32.9 °C
Melting_Point: 267ºC
Bolling_Point: 701.6±60.0 °C at 760 mmHg
Vapor_Pressure: 0.0±4.8 mmHg at 25°C
LogP: -1.31
More_Info: ['1 . Appearance Unknow ', '2 . Density(g/cm3 20ºC )Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)267 ', '5 . Boiling point(ºC,1mmHg)Unknow ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive index(°)Unknow ', '8 . Flash point(℉)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)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 (25℃)Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility (mg/L 20ºC)Water Unknow']
Computational_Chemistry: ['1. XlogP :-106 ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :12 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 162 ', '7. Heavy Atom Count :28 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :447 ', '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']
Melting_Point: 267ºC
Exact_Mass: 404.190704
MF: C16H28N4O8
Density: 1.3±0.1 g/cm3
Refractive_Index: 1.532
PSA: 162.16000
Flash_Point: 378.1±32.9 °C
Molecular_Structure: ['1 . Molar refractive index 9472 ', '2 . Molar volume (m3/mol)3059 ', '3 . Parachor (902K)8354 ', '4 . Surface tension 556 ', '5 . Polarizability 3755']
FW: 404.415
Safety_Statements: 26-36
HS_Code: 2933990090
WGK_Germany: 3
Hazard_Codes: Xi: Irritant;
Risk_Statements(EU): R36/37/38

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