ChemSpider 2D Image | (S)-doxapram | C24H30N2O2

(S)-doxapram

  • Molecular FormulaC24H30N2O2
  • Average mass378.507 Da
  • Monoisotopic mass378.230713 Da
  • ChemSpider ID23311528
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-1-Ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-2-pyrrolidinon [German] [ACD/IUPAC Name]
(4S)-1-Ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-2-pyrrolidinone [ACD/IUPAC Name]
(4S)-1-Éthyl-4-[2-(4-morpholinyl)éthyl]-3,3-diphényl-2-pyrrolidinone [French] [ACD/IUPAC Name]
(4S)-1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one
(S)-doxapram
179915-80-1 [RN]
2-Pyrrolidinone, 1-ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-, (4S)- [ACD/Index Name]
doxapram [INN_en]
(S)-1-ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-2-one
206-216-3 [EINECS]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8J865SG1AT [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 536.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.2±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 2.77
ACD/KOC (pH 5.5): 22.01
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 97.58
ACD/KOC (pH 7.4): 775.44
Polar Surface Area: 33 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 342.8±3.0 cm3

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