ChemSpider 2D Image | N,N'-Bis(2,2,2-trinitroethyl)-1,2,4,5-tetrazine-3,6-diamine | C6H6N12O12

N,N'-Bis(2,2,2-trinitroethyl)-1,2,4,5-tetrazine-3,6-diamine

  • Molecular FormulaC6H6N12O12
  • Average mass438.185 Da
  • Monoisotopic mass438.022827 Da
  • ChemSpider ID32741732

More details:

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

1,2,4,5-Tetrazine-3,6-diamine, N3,N6-bis(2,2,2-trinitroethyl)- [ACD/Index Name]
N,N'-Bis(2,2,2-trinitroethyl)-1,2,4,5-tetrazin-3,6-diamin [German] [ACD/IUPAC Name]
N,N'-Bis(2,2,2-trinitroethyl)-1,2,4,5-tetrazine-3,6-diamine [ACD/IUPAC Name]
N,N'-Bis(2,2,2-trinitroéthyl)-1,2,4,5-tétrazine-3,6-diamine [French] [ACD/IUPAC Name]
1,?2,?4,?5-?Tetrazine-?3,?6-?diamine, N3,?N6-?bis(2,?2,?2-?trinitroethyl)?-
137592-18-8 [RN]
Bis(2,2,2-trinitroethyl)-3,6-diaminotetrazine
BTAT
N3,N6-bis(2,2,2-trinitroethyl)-1,2,4,5-tetrazine-3,6-diamine

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

Density: 2.1±0.1 g/cm3
Boiling Point: 579.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.2±32.9 °C
Index of Refraction: 1.718
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 24
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 10.05
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9647.01
ACD/KOC (pH 5.5): 24752.39
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9647.09
ACD/KOC (pH 7.4): 24752.58
Polar Surface Area: 351 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 137.5±3.0 dyne/cm
Molar Volume: 211.0±3.0 cm3

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