ChemSpider 2D Image | cis-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole | C9H15N

cis-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole

  • Molecular FormulaC9H15N
  • Average mass137.222 Da
  • Monoisotopic mass137.120453 Da
  • ChemSpider ID21117352

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,7aR)-5-Methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol [German] [ACD/IUPAC Name]
(3aS,7aR)-5-Methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole [ACD/IUPAC Name]
(3aS,7aR)-5-Méthyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole [French] [ACD/IUPAC Name]
1H-Isoindole, 2,3,3a,4,7,7a-hexahydro-5-methyl-, (3aS,7aR)- [ACD/Index Name]
21764-64-7 [RN]
cis-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole
(3aR,7aS)-5-Methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole [ACD/IUPAC Name]
(3aS,7aR)-5-methyl-1,3,4,7,3a,7a-hexahydroisoindole
(3αS,7αR)-5-METHYL-2,3,3α,4,7,7α-HEXAHYDRO-1H-ISOINDOLE
1H-Isoindole, 2,3,3a,4,7,7a-hexahydro-5-methyl-, (3aR,7aS)- [ACD/Index Name]

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

MFCD12027108 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 199.5±29.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.6±3.0 kJ/mol
Flash Point: 70.8±19.7 °C
Index of Refraction: 1.487
Molar Refractivity: 42.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 12 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 27.7±3.0 dyne/cm
Molar Volume: 148.0±3.0 cm3

Click to predict properties on the Chemicalize site


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