ChemSpider 2D Image | (3S)-3-[(2S)-2-Amino-3-oxopropyl]-1-piperidinecarboximidamide | C9H18N4O

(3S)-3-[(2S)-2-Amino-3-oxopropyl]-1-piperidinecarboximidamide

  • Molecular FormulaC9H18N4O
  • Average mass198.265 Da
  • Monoisotopic mass198.148056 Da
  • ChemSpider ID59051762

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-[(2S)-2-Amino-3-oxopropyl]-1-piperidincarboximidamid [German] [ACD/IUPAC Name]
(3S)-3-[(2S)-2-Amino-3-oxopropyl]-1-piperidinecarboximidamide [ACD/IUPAC Name]
(3S)-3-[(2S)-2-Amino-3-oxopropyl]-1-pipéridinecarboximidamide [French] [ACD/IUPAC Name]
1-Piperidinecarboximidamide, 3-[(2S)-2-amino-3-oxopropyl]-, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 325.9±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 150.9±29.6 °C
Index of Refraction: 1.624
Molar Refractivity: 52.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.75
ACD/LogD (pH 5.5): -5.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 147.4±7.0 cm3

Click to predict properties on the Chemicalize site


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