ChemSpider 2D Image | Abieta-8(14),9(11),12-trien-19-amine | C20H31N

Abieta-8(14),9(11),12-trien-19-amine

  • Molecular FormulaC20H31N
  • Average mass285.467 Da
  • Monoisotopic mass285.245636 Da
  • ChemSpider ID18499324
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1S,4aS,10aR)- [ACD/Index Name]
Abieta-8(14),9(11),12-trien-19-amin [German] [ACD/IUPAC Name]
Abieta-8(14),9(11),12-trien-19-amine [ACD/IUPAC Name]
Abiéta-8(14),9(11),12-trién-19-amine [French] [ACD/IUPAC Name]
((1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine
((1S,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine
(+)-DEHYDROABIETYLAMINE
(+)-Dehydroabietylamine [Optical Resolving Agent]
(+)-DEHYDROABIETYLAMINE[OPTICALRESOLVINGAGENT]
[(1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 382.9±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 156.7±9.1 °C
Index of Refraction: 1.528
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 16.25
ACD/KOC (pH 5.5): 33.95
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 52.37
ACD/KOC (pH 7.4): 109.42
Polar Surface Area: 26 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 296.2±3.0 cm3

Click to predict properties on the Chemicalize site






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