ChemSpider 2D Image | [4-(3-Aminopropyl)-1,4,7-triazonan-1-yl]acetic acid | C11H24N4O2

[4-(3-Aminopropyl)-1,4,7-triazonan-1-yl]acetic acid

  • Molecular FormulaC11H24N4O2
  • Average mass244.334 Da
  • Monoisotopic mass244.189926 Da
  • ChemSpider ID28564781

More details:

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

[4-(3-Aminopropyl)-1,4,7-triazonan-1-yl]acetic acid [ACD/IUPAC Name]
[4-(3-Aminopropyl)-1,4,7-triazonan-1-yl]essigsäure [German] [ACD/IUPAC Name]
1H-1,4,7-Triazonine-1-acetic acid, 4-(3-aminopropyl)octahydro- [ACD/Index Name]
Acide [4-(3-aminopropyl)-1,4,7-triazonan-1-yl]acétique [French] [ACD/IUPAC Name]
786633-34-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 430.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 214.4±28.7 °C
Index of Refraction: 1.496
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -5.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 227.8±3.0 cm3

Click to predict properties on the Chemicalize site


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