ChemSpider 2D Image | BRD6688 | C16H18N4O

BRD6688

  • Molecular FormulaC16H18N4O
  • Average mass282.340 Da
  • Monoisotopic mass282.148071 Da
  • ChemSpider ID43055127

More details:

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

1404562-17-9 [RN]
1-Pyrrolidinecarboxamide, N-[2-amino-5-(4-pyridinyl)phenyl]- [ACD/Index Name]
BRD6688
N-[2-Amino-5-(4-pyridinyl)phenyl]-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-[2-Amino-5-(4-pyridinyl)phenyl]-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-[2-Amino-5-(4-pyridinyl)phényl]-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
N-[2-AMINO-5-(PYRIDIN-4-YL)PHENYL]PYRROLIDINE-1-CARBOXAMIDE
[1404562-17-9] [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.3±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.27
ACD/KOC (pH 5.5): 139.68
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.09
ACD/KOC (pH 7.4): 155.32
Polar Surface Area: 71 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 219.2±3.0 cm3

Click to predict properties on the Chemicalize site


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