Found 3 results

Search term: LEGYMQGRRTXEDZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(3S)-1-(3-Aminopropyl)-3-piperidinyl]methanol | C9H20N2O

[(3S)-1-(3-Aminopropyl)-3-piperidinyl]methanol

  • Molecular FormulaC9H20N2O
  • Average mass172.268 Da
  • Monoisotopic mass172.157562 Da
  • ChemSpider ID32798174

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-1-(3-Aminopropyl)-3-piperidinyl]methanol [German] [ACD/IUPAC Name]
[(3S)-1-(3-Aminopropyl)-3-piperidinyl]methanol [ACD/IUPAC Name]
[(3S)-1-(3-Aminopropyl)-3-pipéridinyl]méthanol [French] [ACD/IUPAC Name]
3-Piperidinemethanol, 1-(3-aminopropyl)-, (3S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 268.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.8±6.0 kJ/mol
Flash Point: 116.1±21.8 °C
Index of Refraction: 1.491
Molar Refractivity: 50.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.30
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 173.8±3.0 cm3

Click to predict properties on the Chemicalize site


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