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Search term: JLXFCRGBJHNVNU-MWDXBVQZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-7-[(3R,5S,7aR)-5-Propylhexahydro-1H-pyrrolizin-3-yl]-2-heptanol | C17H33NO

(2S)-7-[(3R,5S,7aR)-5-Propylhexahydro-1H-pyrrolizin-3-yl]-2-heptanol

  • Molecular FormulaC17H33NO
  • Average mass267.450 Da
  • Monoisotopic mass267.256226 Da
  • ChemSpider ID23122199

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-7-[(3R,5S,7aR)-5-Propylhexahydro-1H-pyrrolizin-3-yl]-2-heptanol [German] [ACD/IUPAC Name]
(2S)-7-[(3R,5S,7aR)-5-Propylhexahydro-1H-pyrrolizin-3-yl]-2-heptanol [ACD/IUPAC Name]
(2S)-7-[(3R,5S,7aR)-5-Propylhexahydro-1H-pyrrolizin-3-yl]-2-heptanol [French] [ACD/IUPAC Name]
(2S)-7-[(3R,5S,7aR)-5-propylhexahydro-1H-pyrrolizin-3-yl]heptan-2-ol
1H-Pyrrolizine-3-hexanol, hexahydro-α-methyl-5-propyl-, (αS,3R,5S,7aR)- [ACD/Index Name]
(S)-7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3-yl)-heptan-2-ol
CHEMBL284725
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL284725/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 363.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.6±6.0 kJ/mol
Flash Point: 144.6±19.0 °C
Index of Refraction: 1.503
Molar Refractivity: 82.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 4.85
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 5.65
Polar Surface Area: 23 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 37.6±5.0 dyne/cm
Molar Volume: 277.5±5.0 cm3

Click to predict properties on the Chemicalize site


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