ChemSpider 2D Image | 6536266 | C28H50N2O2

6536266

  • Molecular FormulaC28H50N2O2
  • Average mass446.709 Da
  • Monoisotopic mass446.387238 Da
  • ChemSpider ID21169696
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2S)-N,N-Dicyclohexyl-N',N'-diisobutyl-1,2-cyclohexandicarboxamid [German] [ACD/IUPAC Name]
(1R,2S)-N,N-Dicyclohexyl-N',N'-diisobutyl-1,2-cyclohexanedicarboxamide [ACD/IUPAC Name]
(1R,2S)-N,N-Dicyclohexyl-N',N'-diisobutyl-1,2-cyclohexanedicarboxamide [French] [ACD/IUPAC Name]
1,2-Cyclohexanedicarboxamide, N1,N1-dicyclohexyl-N2,N2-bis(2-methylpropyl)-, (1R,2S)- [ACD/Index Name]
6536266
99281-50-2 [RN]
Lithium ionophore III
MFCD00077936
N,N-Dicyclohexyl-N',N'-diisobutyl-cis-cyclohexane-1,2-dicarboxamide
ETH 1810, N,N-Dicyclohexyl-N,N-diisobutyl-cis-cyclohexane-1,2-dicarboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ETH 1810 [DBID]
62558_FLUKA [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 583.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 220.0±16.9 °C
Index of Refraction: 1.517
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20276.48
ACD/KOC (pH 5.5): 42124.16
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 20276.50
ACD/KOC (pH 7.4): 42124.21
Polar Surface Area: 41 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 440.7±5.0 cm3

Click to predict properties on the Chemicalize site






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