ChemSpider 2D Image | 3-[(6-Nitro-4-quinazolinyl)amino]-1,2-propanediol | C11H12N4O4

3-[(6-Nitro-4-quinazolinyl)amino]-1,2-propanediol

  • Molecular FormulaC11H12N4O4
  • Average mass264.237 Da
  • Monoisotopic mass264.085846 Da
  • ChemSpider ID34209031

More details:

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

1,2-Propanediol, 3-[(6-nitro-4-quinazolinyl)amino]- [ACD/Index Name]
3-[(6-Nitro-4-chinazolinyl)amino]-1,2-propandiol [German] [ACD/IUPAC Name]
3-[(6-Nitro-4-quinazolinyl)amino]-1,2-propanediol [ACD/IUPAC Name]
3-[(6-Nitro-4-quinazolinyl)amino]-1,2-propanediol [French] [ACD/IUPAC Name]
1478560-05-2 [RN]
3-[(6-nitroquinazolin-4-yl)amino]propane-1,2-diol
MFCD23199318

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

Density: 1.6±0.1 g/cm3
Boiling Point: 595.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 313.7±30.1 °C
Index of Refraction: 1.744
Molar Refractivity: 68.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.52
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.92
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 44.11
Polar Surface Area: 124 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 91.0±3.0 dyne/cm
Molar Volume: 169.7±3.0 cm3

Click to predict properties on the Chemicalize site


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