ChemSpider 2D Image | N-(2-Propyn-1-yl)-1,4-butanediamine | C7H14N2

N-(2-Propyn-1-yl)-1,4-butanediamine

  • Molecular FormulaC7H14N2
  • Average mass126.200 Da
  • Monoisotopic mass126.115700 Da
  • ChemSpider ID23153159

More details:

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

1,4-Butanediamine, N1-2-propyn-1-yl- [ACD/Index Name]
N-(2-Propin-1-yl)-1,4-butandiamin [German] [ACD/IUPAC Name]
N-(2-Propyn-1-yl)-1,4-butanediamine [ACD/IUPAC Name]
N-(2-Propyn-1-yl)-1,4-butanediamine [French] [ACD/IUPAC Name]
N-(prop-2-yn-1-yl)butane-1,4-diamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL292770/
N*1*-Prop-2-ynyl-butane-1,4-diamine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 215.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.2±3.0 kJ/mol
Flash Point: 95.2±25.4 °C
Index of Refraction: 1.474
Molar Refractivity: 39.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -4.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 38 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 140.3±3.0 cm3

Click to predict properties on the Chemicalize site


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