ChemSpider 2D Image | Di-tert-butyl 2,2'-[4,10-bis(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl]diacetate | C34H50N6O8

Di-tert-butyl 2,2'-[4,10-bis(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl]diacetate

  • Molecular FormulaC34H50N6O8
  • Average mass670.796 Da
  • Monoisotopic mass670.369019 Da
  • ChemSpider ID23345473

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, 4,10-bis[(4-nitrophenyl)methyl]-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
2,2'-[4,10-Bis(4-nitrobenzyl)-1,4,7,10-tétraazacyclododécane-1,7-diyl]diacétate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) 2,2'-[4,10-bis(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl]diacetate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-2,2'-[4,10-bis(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecan-1,7-diyl]diacetat [German] [ACD/IUPAC Name]
Di-tert-butyl 2,2'-[4,10-bis(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl]diacetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 728.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.6±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 181.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 142.70
ACD/KOC (pH 5.5): 619.55
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1401.24
ACD/KOC (pH 7.4): 6083.72
Polar Surface Area: 157 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 571.7±3.0 cm3

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