ChemSpider 2D Image | N-[(2R)-2-Butanyl]-4-(2-methyl-2-propanyl)-2,6-dinitroaniline | C14H21N3O4

N-[(2R)-2-Butanyl]-4-(2-methyl-2-propanyl)-2,6-dinitroaniline

  • Molecular FormulaC14H21N3O4
  • Average mass295.334 Da
  • Monoisotopic mass295.153198 Da
  • ChemSpider ID32787631
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Benzenamine, 4-(1,1-dimethylethyl)-N-[(1R)-1-methylpropyl]-2,6-dinitro- [ACD/Index Name]
N-[(2R)-2-Butanyl]-4-(2-methyl-2-propanyl)-2,6-dinitroanilin [German] [ACD/IUPAC Name]
N-[(2R)-2-Butanyl]-4-(2-methyl-2-propanyl)-2,6-dinitroaniline [ACD/IUPAC Name]
N-[(2R)-2-Butanyl]-4-(2-méthyl-2-propanyl)-2,6-dinitroaniline [French] [ACD/IUPAC Name]
251-607-4 [EINECS]
33629-47-9 [RN]
Butralin [BSI] [ISO]
UNII-5CZK3K1YPB

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 381.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.4±27.9 °C
Index of Refraction: 1.565
Molar Refractivity: 81.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3635.88
ACD/KOC (pH 5.5): 12310.58
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3635.88
ACD/KOC (pH 7.4): 12310.58
Polar Surface Area: 104 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 249.2±3.0 cm3

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