ChemSpider 2D Image | (S)-oxamniquine | C14H21N3O3

(S)-oxamniquine

  • Molecular FormulaC14H21N3O3
  • Average mass279.335 Da
  • Monoisotopic mass279.158295 Da
  • ChemSpider ID31150569

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-oxamniquine
{(2S)-2-[(Isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydro-6-chinolinyl}methanol [German] [ACD/IUPAC Name]
{(2S)-2-[(Isopropylamino)méthyl]-7-nitro-1,2,3,4-tétrahydro-6-quinoléinyl}méthanol [French] [ACD/IUPAC Name]
{(2S)-2-[(Isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydro-6-quinolinyl}methanol [ACD/IUPAC Name]
6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-[[(1-methylethyl)amino]methyl]-7-nitro-, (2S)- [ACD/Index Name]
(2S)-1,2,3,4-tetrahydro-2-{[(1-methylethyl)amino]methyl}-7-nitro-6-quinolinemethanol
[(2R)-2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl]methanol
[(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methanol
{(2S)-2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol
21738-42-1 [RN]
More...

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

NCGC00016755-01 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 443.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 222.1±28.7 °C
Index of Refraction: 1.560
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 90 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 237.7±3.0 cm3

Click to predict properties on the Chemicalize site


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