ChemSpider 2D Image | N-[(3s,5s,7s)-Adamantan-1-ylmethyl]-5-nitro-2-pyridinamine | C16H21N3O2

N-[(3s,5s,7s)-Adamantan-1-ylmethyl]-5-nitro-2-pyridinamine

  • Molecular FormulaC16H21N3O2
  • Average mass287.357 Da
  • Monoisotopic mass287.163391 Da
  • ChemSpider ID110449894

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Pyridinamine, 5-nitro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- [ACD/Index Name]
N-[(3s,5s,7s)-Adamantan-1-ylmethyl]-5-nitro-2-pyridinamin [German] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-ylmethyl]-5-nitro-2-pyridinamine [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-ylméthyl]-5-nitro-2-pyridinamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 449.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.7±24.6 °C
Index of Refraction: 1.639
Molar Refractivity: 80.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1366.28
ACD/KOC (pH 5.5): 6101.04
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1373.00
ACD/KOC (pH 7.4): 6131.07
Polar Surface Area: 71 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 224.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement