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Search term: MZVMQPFTTQKLEJ-GBJTYRQASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-7-[(3R,5S,7aR)-5-Methylhexahydro-1H-pyrrolizin-3-yl]-2-heptanol | C15H29NO

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

  • Molecular FormulaC15H29NO
  • Average mass239.397 Da
  • Monoisotopic mass239.224915 Da
  • ChemSpider ID23122122

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-7-[(3R,5S,7aR)-5-Methylhexahydro-1H-pyrrolizin-3-yl]-2-heptanol [German] [ACD/IUPAC Name]
(2R)-7-[(3R,5S,7aR)-5-Methylhexahydro-1H-pyrrolizin-3-yl]-2-heptanol [ACD/IUPAC Name]
(2R)-7-[(3R,5S,7aR)-5-Méthylhexahydro-1H-pyrrolizin-3-yl]-2-heptanol [French] [ACD/IUPAC Name]
(2R)-7-[(3R,5S,7aR)-5-methylhexahydro-1H-pyrrolizin-3-yl]heptan-2-ol
1H-Pyrrolizine-3-hexanol, hexahydro-α,5-dimethyl-, (αR,3R,5S,7aR)- [ACD/Index Name]
(R)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3-yl)-heptan-2-ol
CHEMBL24692

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

Density: 1.0±0.1 g/cm3
Boiling Point: 332.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.6±6.0 kJ/mol
Flash Point: 132.2±19.0 °C
Index of Refraction: 1.506
Molar Refractivity: 72.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.01
Polar Surface Area: 23 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 244.9±5.0 cm3

Click to predict properties on the Chemicalize site


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