ChemSpider 2D Image | (3aR,7aS)-2,3,3a,4,7,7a-Hexahydro-1H-isoindole | C8H13N

(3aR,7aS)-2,3,3a,4,7,7a-Hexahydro-1H-isoindole

  • Molecular FormulaC8H13N
  • Average mass123.196 Da
  • Monoisotopic mass123.104797 Da
  • ChemSpider ID21117346

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,7aS)-2,3,3a,4,7,7a-Hexahydro-1H-isoindol [German] [ACD/IUPAC Name]
(3aR,7aS)-2,3,3a,4,7,7a-Hexahydro-1H-isoindole [ACD/IUPAC Name]
(3aR,7aS)-2,3,3a,4,7,7a-Hexahydro-1H-isoindole [French] [ACD/IUPAC Name]
1H-Isoindole, 2,3,3a,4,7,7a-hexahydro-, (3aR,7aS)- [ACD/Index Name]
2144-87-8 [RN]
(3a{R},7a{S})-2,3,3a,4,7,7a-hexahydro-1{H}-isoindole
(3AR,7AS)-2,3,3α,4,7,7α-HEXAHYDRO-1H-ISOINDOLE
(3aS,7aR)-1,3,4,7,3a,7a-hexahydroisoindole
(cis)-2,3,3a,4,7,7a-hexahydro-1H-isoindole
[2144-87-8] [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 182.9±29.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.9±3.0 kJ/mol
Flash Point: 61.1±19.7 °C
Index of Refraction: 1.495
Molar Refractivity: 37.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 12 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 130.0±3.0 cm3

Click to predict properties on the Chemicalize site


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