ChemSpider 2D Image | 2-Methyl-2-propanyl [(1S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]carbamate | C21H23Cl2NO2

2-Methyl-2-propanyl [(1S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]carbamate

  • Molecular FormulaC21H23Cl2NO2
  • Average mass392.319 Da
  • Monoisotopic mass391.110596 Da
  • ChemSpider ID31046065
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

[(1S,4R)-4-(3,4-Dichlorophényl)-1,2,3,4-tétrahydro-1-naphtalényl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(1S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1S,4R)-4-(3,4-dichlorphenyl)-1,2,3,4-tetrahydro-1-naphthalinyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
1217630-23-3 [RN]
tert-Butyl (trans-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
trans-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-boc-1-naphthalenamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 508.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 261.1±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24507.28
ACD/KOC (pH 5.5): 48243.92
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24506.26
ACD/KOC (pH 7.4): 48241.91
Polar Surface Area: 38 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 312.2±5.0 cm3

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