ChemSpider 2D Image | 2-[(1s,3R,5S)-Adamantan-1-ylamino]ethyl (4-chlorophenoxy)acetate | C20H26ClNO3

2-[(1s,3R,5S)-Adamantan-1-ylamino]ethyl (4-chlorophenoxy)acetate

  • Molecular FormulaC20H26ClNO3
  • Average mass363.878 Da
  • Monoisotopic mass363.160126 Da
  • ChemSpider ID32699181

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4-Chlorophénoxy)acétate de 2-[(1s,3R,5S)-adamantan-1-ylamino]éthyle [French] [ACD/IUPAC Name]
2-[(1s,3R,5S)-Adamantan-1-ylamino]ethyl (4-chlorophenoxy)acetate [ACD/IUPAC Name]
2-[(1s,3R,5S)-Adamantan-1-ylamino]ethyl-(4-chlorphenoxy)acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-(4-chlorophenoxy)-, 2-[(3R,5S)-tricyclo[3.3.1.13,7]dec-1-ylamino]ethyl ester [ACD/Index Name]
82168-26-1 [RN]
adafenoxate [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 489.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 249.7±24.6 °C
Index of Refraction: 1.580
Molar Refractivity: 97.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 2.49
ACD/KOC (pH 5.5): 10.00
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 70.84
ACD/KOC (pH 7.4): 284.11
Polar Surface Area: 48 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 292.8±5.0 cm3

Click to predict properties on the Chemicalize site


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