ChemSpider 2D Image | Bis(2-methyl-2-propanyl) [1H-1,2,4-triazole-3,5-diylbis(methylene)]biscarbamate | C14H25N5O4

Bis(2-methyl-2-propanyl) [1H-1,2,4-triazole-3,5-diylbis(methylene)]biscarbamate

  • Molecular FormulaC14H25N5O4
  • Average mass327.379 Da
  • Monoisotopic mass327.190643 Da
  • ChemSpider ID25997458

More details:

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

(1H-1,2,4-Triazole-3,5-diyldiméthylène)biscarbamate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) [1H-1,2,4-triazole-3,5-diylbis(methylene)]biscarbamate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(1H-1,2,4-triazol-3,5-diyldimethylen)biscarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N,N'-[4H-1,2,4-triazole-3,5-diylbis(methylene)]bis-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
1240528-36-2 [RN]
MFCD16622208 [MDL number]
TERT-BUTYL N-([5-(([(TERT-BUTOXY)CARBONYL]AMINO)METHYL)-4H-1,2,4-TRIAZOL-3-YL]METHYL)CARBAMATE
tert-butyl N-{[5-({[(tert-butoxy)carbonyl]amino}methyl)-4H-1,2,4-triazol-3-yl]methyl}carbamate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 529.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.3±25.9 °C
Index of Refraction: 1.517
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.95
ACD/KOC (pH 5.5): 139.45
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.82
ACD/KOC (pH 7.4): 136.69
Polar Surface Area: 118 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 276.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement