Found 2 results

Search term: XYCUJKFFVBCJEF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(4-{[Ammonio(imino)methyl]amino}butyl)-1,3-propanediaminium | C8H24N5

N-(4-{[Ammonio(imino)methyl]amino}butyl)-1,3-propanediaminium

  • Molecular FormulaC8H24N5
  • Average mass190.308 Da
  • Monoisotopic mass190.201523 Da
  • ChemSpider ID28184622

  • Charge - Charge

More details:

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

Guanidine, N-[4-[(3-aminopropyl)amino]butyl]-, conjugate triacid [ACD/Index Name]
N-(4-{[Ammonio(imino)methyl]amino}butyl)-1,3-propandiaminium [German] [ACD/IUPAC Name]
N-(4-{[Ammonio(imino)methyl]amino}butyl)-1,3-propanediaminium [ACD/IUPAC Name]
N-(4-{[Ammonio(imino)méthyl]amino}butyl)-1,3-propanediaminium [French] [ACD/IUPAC Name]
[azaniumyl({4-[(3-azaniumylpropyl)azaniumyl]butyl}amino)methylene]azaniumyl
3-azaniumylpropyl-[4-(diaminomethylideneazaniumyl)butyl]azanium
N(1)-(3-aminoaminopropyl)agmatine(3+)
N(1)-aminopropylagmatine
N(1)-aminopropylagmatine(3+)
  • Miscellaneous

    • Chemical Class:

      A guanidinium ion obtained by protonation of the guanidino as well as the primary and secondary amino functions of N(1)-aminopropylagmatine; major species at pH 7.3. ChEBI CHEBI:64335
      A guanidinium ion obtained by protonation of the guanidino as well as the primary and secondary amino functions of N1-aminopropylagmatine; major species at pH 7; .3. ChEBI CHEBI:64335

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

Density:
Boiling Point: 330.2±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 153.5±29.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.67
ACD/LogD (pH 5.5): -6.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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