ChemSpider 2D Image | trans-N-(3-Aminopropyl)-1,4-cyclohexanediamine | C9H21N3

trans-N-(3-Aminopropyl)-1,4-cyclohexanediamine

  • Molecular FormulaC9H21N3
  • Average mass171.283 Da
  • Monoisotopic mass171.173553 Da
  • ChemSpider ID35033921

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,4-Cyclohexanediamine, N1-(3-aminopropyl)-, trans- [ACD/Index Name]
trans-N-(3-Aminopropyl)-1,4-cyclohexandiamin [German] [ACD/IUPAC Name]
trans-N-(3-Aminopropyl)-1,4-cyclohexanediamine [ACD/IUPAC Name]
trans-N-(3-Aminopropyl)-1,4-cyclohexanediamine [French] [ACD/IUPAC Name]
Trans-N-(3-Aminopropyl)cyclohexane-1,4-Diamine
JFQ

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

Density: 1.0±0.1 g/cm3
Boiling Point: 270.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.8±3.0 kJ/mol
Flash Point: 135.4±22.0 °C
Index of Refraction: 1.511
Molar Refractivity: 52.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -5.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 175.4±5.0 cm3

Click to predict properties on the Chemicalize site


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