ChemSpider 2D Image | (2S)-2-Ammonio-4-[(3-ammoniopropyl)ammonio]butanoate | C7H19N3O2

(2S)-2-Ammonio-4-[(3-ammoniopropyl)ammonio]butanoate

  • Molecular FormulaC7H19N3O2
  • Average mass177.244 Da
  • Monoisotopic mass177.146637 Da
  • ChemSpider ID28532799

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Ammonio-4-[(3-ammoniopropyl)ammonio]butanoat [German] [ACD/IUPAC Name]
(2S)-2-Ammonio-4-[(3-ammoniopropyl)ammonio]butanoate [ACD/IUPAC Name]
(2S)-2-Ammonio-4-[(3-ammoniopropyl)ammonio]butanoate [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[(3-aminopropyl)amino]-, inner salt, conjugate diacid, (2S)- [ACD/Index Name]
(2S)-2-azaniumyl-4-[(3-azaniumylpropyl)azaniumyl]butanoate
carboxynorspermidine
carboxynorspermidine(2+)
  • Miscellaneous

    • Chemical Class:

      The alpha-amino-acid cation formed from carboxynorspermidine by zwitterion formation between the carboxy and alpha-amino groups and protonation of the nitrogen atoms ; at positions 5 and 9; the major structure of carboxynorspermidine at pH 7.3. ChEBI CHEBI:65070
      The alpha-amino-acid cation formed from carboxynorspermidine by zwitterion formation between the carboxy and alpha-amino groups and protonation of the nitrogen atoms at positions 5 and 9; the major st ructure of carboxynorspermidine at pH 7.3. ChEBI CHEBI:65070

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

Density:
Boiling Point: 377.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.6±6.0 kJ/mol
Flash Point: 181.9±26.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -5.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability:
Surface Tension:
Molar Volume:

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