Found 2 results

Search term: MF = 'C_{12}H_{18}Br_{3}N_{3}O_{3}'
ChemSpider 2D Image | (1Z,1'Z,1''Z)-1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromo-1-propen-1-ol) | C12H18Br3N3O3

(1Z,1'Z,1''Z)-1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromo-1-propen-1-ol)

  • Molecular FormulaC12H18Br3N3O3
  • Average mass492.002 Da
  • Monoisotopic mass488.889801 Da
  • ChemSpider ID95664122

  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z,1'Z,1''Z)-1,1',1''-(1,3,5-Triazinan-1,3,5-triyl)tris(3-brom-1-propen-1-ol) [German] [ACD/IUPAC Name]
(1Z,1'Z,1''Z)-1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromo-1-propen-1-ol) [ACD/IUPAC Name]
(1Z,1'Z,1''Z)-1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromo-1-propén-1-ol) [French] [ACD/IUPAC Name]
1,3,5-Triazine-1,3,5(2H,4H,6H)-trimethanol, α,α',α''-tris(2-bromoethylidene)-, (α1Z,α3Z,α5Z)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 661.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±6.0 kJ/mol
Flash Point: 354.0±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 318.77
ACD/KOC (pH 5.5): 2155.56
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.87
ACD/KOC (pH 7.4): 2122.49
Polar Surface Area: 70 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 76.6±3.0 dyne/cm
Molar Volume: 243.9±3.0 cm3

Click to predict properties on the Chemicalize site


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