ChemSpider 2D Image | (1S,4S)-4-Ethoxy-N-{2-[(9R)-9-(2-pyridinyl)-6-oxaspiro[4.5]dec-9-yl]ethyl}-1,2,3,4-tetrahydro-1-naphthalenamine | C28H38N2O2

(1S,4S)-4-Ethoxy-N-{2-[(9R)-9-(2-pyridinyl)-6-oxaspiro[4.5]dec-9-yl]ethyl}-1,2,3,4-tetrahydro-1-naphthalenamine

  • Molecular FormulaC28H38N2O2
  • Average mass434.613 Da
  • Monoisotopic mass434.293335 Da
  • ChemSpider ID115010434

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,4S)-4-Éthoxy-N-{2-[(9R)-9-(2-pyridinyl)-6-oxaspiro[4.5]déc-9-yl]éthyl}-1,2,3,4-tétrahydro-1-naphtalénamine [French] [ACD/IUPAC Name]
(1S,4S)-4-Ethoxy-N-{2-[(9R)-9-(2-pyridinyl)-6-oxaspiro[4.5]dec-9-yl]ethyl}-1,2,3,4-tetrahydro-1-naphthalenamine [ACD/IUPAC Name]
(1S,4S)-4-Ethoxy-N-{2-[(9R)-9-(2-pyridinyl)-6-oxaspiro[4.5]dec-9-yl]ethyl}-1,2,3,4-tetrahydro-1-naphthalinamin [German] [ACD/IUPAC Name]
6-Oxaspiro[4.5]decane-9-ethanamine, N-[(1S,4S)-4-ethoxy-1,2,3,4-tetrahydro-1-naphthalenyl]-9-(2-pyridinyl)-, (9R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 587.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 308.8±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 8.85
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 104.69
ACD/KOC (pH 7.4): 385.92
Polar Surface Area: 43 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 384.5±5.0 cm3

Click to predict properties on the Chemicalize site


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