Found 12212 results

Search term: MF = 'C_{18}H_{27}N_{3}'
ChemSpider 2D Image | (3aR,7aS)-2-{[2-(Cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole | C18H27N3

(3aR,7aS)-2-{[2-(Cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole

  • Molecular FormulaC18H27N3
  • Average mass285.427 Da
  • Monoisotopic mass285.220490 Da
  • ChemSpider ID29614130

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,7aS)-2-{[2-(Cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-2,3,3a,4,7,7a-hexahydro-1H-isoindol [German] [ACD/IUPAC Name]
(3aR,7aS)-2-{[2-(Cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole [ACD/IUPAC Name]
(3aR,7aS)-2-{[2-(Cyclopentylméthyl)-1H-imidazol-4-yl]méthyl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole [French] [ACD/IUPAC Name]
1H-Isoindole, 2-[[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl]-2,3,3a,4,7,7a-hexahydro-, (3aR,7aS)- [ACD/Index Name]
(3aR*,7aS*)-2-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole

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

Density: 1.1±0.1 g/cm3
Boiling Point: 473.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 240.0±27.3 °C
Index of Refraction: 1.595
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 15.44
ACD/KOC (pH 7.4): 116.23
Polar Surface Area: 32 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 252.5±3.0 cm3

Click to predict properties on the Chemicalize site


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