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Search term: UZJVGVSTWUMJNT-WBFAGQMUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Isobutyl (2-{[trans-4-(diethylamino)cyclohexyl]carbamoyl}-1,2,3,4-tetrahydro-2-naphthalenyl)carbamate | C26H41N3O3

Isobutyl (2-{[trans-4-(diethylamino)cyclohexyl]carbamoyl}-1,2,3,4-tetrahydro-2-naphthalenyl)carbamate

  • Molecular FormulaC26H41N3O3
  • Average mass443.622 Da
  • Monoisotopic mass443.314789 Da
  • ChemSpider ID23247474

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2-{[trans-4-(Diéthylamino)cyclohexyl]carbamoyl}-1,2,3,4-tétrahydro-2-naphtalényl)carbamate d'isobutyle [French] [ACD/IUPAC Name]
2-methylpropyl (2-{[trans-4-(diethylamino)cyclohexyl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
Carbamic acid, N-[2-[[[trans-4-(diethylamino)cyclohexyl]amino]carbonyl]-1,2,3,4-tetrahydro-2-naphthalenyl]-, 2-methylpropyl ester [ACD/Index Name]
Isobutyl (2-{[trans-4-(diethylamino)cyclohexyl]carbamoyl}-1,2,3,4-tetrahydro-2-naphthalenyl)carbamate [ACD/IUPAC Name]
Isobutyl-(2-{[trans-4-(diethylamino)cyclohexyl]carbamoyl}-1,2,3,4-tetrahydro-2-naphthalinyl)carbamat [German] [ACD/IUPAC Name]
[2-(4-Diethylamino-cyclohexylcarbamoyl)-1,2,3,4-tetrahydro-naphthalen-2-yl]-carbamic acid isobutyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL362683/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 623.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.1±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 5.54
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 3.96
ACD/KOC (pH 7.4): 16.98
Polar Surface Area: 71 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 401.8±5.0 cm3

Click to predict properties on the Chemicalize site


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