ChemSpider 2D Image | (1S)-4-{[Ammonio(nitroamino)methylene]amino}-1-carboxy-1-butanaminium | C6H15N5O4

(1S)-4-{[Ammonio(nitroamino)methylene]amino}-1-carboxy-1-butanaminium

  • Molecular FormulaC6H15N5O4
  • Average mass221.213 Da
  • Monoisotopic mass221.111313 Da
  • ChemSpider ID29416199

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-4-{[Ammonio(nitroamino)methylen]amino}-1-carboxy-1-butanaminium [German] [ACD/IUPAC Name]
(1S)-4-{[Ammonio(nitroamino)methylene]amino}-1-carboxy-1-butanaminium [ACD/IUPAC Name]
(1S)-4-{[Ammonio(nitroamino)méthylène]amino}-1-carboxy-1-butanaminium [French] [ACD/IUPAC Name]
L-Ornithine, N5-[imino(nitroamino)methyl]-, conjugate diacid [ACD/Index Name]

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

Density:
Boiling Point: 422.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±6.0 kJ/mol
Flash Point: 209.2±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -4.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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