FT-0606756 CAS:60239-18-1 chemical structure

DOTA

Name: DOTA
Rating: 4.5 (11 reviews)

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
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