ChemSpider 2D Image | (9S)-N-[(3-Methoxy-2-thienyl)methyl]-9-(2-pyridinyl)-6-oxaspiro[4.5]decane-9-ethanamine | C22H30N2O2S

(9S)-N-[(3-Methoxy-2-thienyl)methyl]-9-(2-pyridinyl)-6-oxaspiro[4.5]decane-9-ethanamine

  • Molecular FormulaC22H30N2O2S
  • Average mass386.551 Da
  • Monoisotopic mass386.202789 Da
  • ChemSpider ID103882822

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9S)-N-[(3-Methoxy-2-thienyl)methyl]-9-(2-pyridinyl)-6-oxaspiro[4.5]decane-9-ethanamine
2101782-56-1 [RN]
6-Oxaspiro[4.5]decane-9-ethanamine, N-[(3-methoxy-2-thienyl)methyl]-9-(2-pyridinyl)-, (9S)- [ACD/Index Name]
N-[(3-Methoxy-2-thienyl)methyl]-2-[(9S)-9-(2-pyridinyl)-6-oxaspiro[4.5]dec-9-yl]ethanamin [German] [ACD/IUPAC Name]
N-[(3-Methoxy-2-thienyl)methyl]-2-[(9S)-9-(2-pyridinyl)-6-oxaspiro[4.5]dec-9-yl]ethanamine [ACD/IUPAC Name]
N-[(3-Méthoxy-2-thiényl)méthyl]-2-[(9S)-9-(2-pyridinyl)-6-oxaspiro[4.5]déc-9-yl]éthanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.2±28.7 °C
Index of Refraction: 1.590
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.97
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 54.44
ACD/KOC (pH 7.4): 311.62
Polar Surface Area: 72 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 327.9±5.0 cm3

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