ChemSpider 2D Image | tert-Butyl (2-methyl-3,5-dinitrophenyl)carbamate | C12H15N3O6

tert-Butyl (2-methyl-3,5-dinitrophenyl)carbamate

  • Molecular FormulaC12H15N3O6
  • Average mass297.264 Da
  • Monoisotopic mass297.096100 Da
  • ChemSpider ID29273276

More details:

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

(2-Méthyl-3,5-dinitrophényl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1588441-20-6 [RN]
2-Methyl-2-propanyl (2-methyl-3,5-dinitrophenyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2-methyl-3,5-dinitrophenyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(2-methyl-3,5-dinitrophenyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl (2-methyl-3,5-dinitrophenyl)carbamate
AGN-PC-0NUVPW
AJ-132495
AK134616
AKOS016842650
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 354.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.0±3.0 kJ/mol
    Flash Point: 168.4±27.9 °C
    Index of Refraction: 1.593
    Molar Refractivity: 74.1±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.76
    ACD/LogD (pH 5.5): 3.22
    ACD/BCF (pH 5.5): 163.90
    ACD/KOC (pH 5.5): 1339.10
    ACD/LogD (pH 7.4): 3.22
    ACD/BCF (pH 7.4): 163.90
    ACD/KOC (pH 7.4): 1339.07
    Polar Surface Area: 130 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 54.6±3.0 dyne/cm
    Molar Volume: 218.4±3.0 cm3

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