ChemSpider 2D Image | 2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropyl]-4-(4-morpholinyl)-1,2,5-thiadiazol-3(2H)-one | C13H24N4O3S

2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropyl]-4-(4-morpholinyl)-1,2,5-thiadiazol-3(2H)-one

  • Molecular FormulaC13H24N4O3S
  • Average mass316.420 Da
  • Monoisotopic mass316.156921 Da
  • ChemSpider ID32701222

More details:






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

1,2,5-Thiadiazol-3(2H)-one, 2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl]-4-(4-morpholinyl)- [ACD/Index Name]
158636-97-6 [RN]
2-((2RS)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPYL)-4-(MORPHOLIN-4-YL)-1,2,5-THIADIAZOL-3(2H)-ONE
2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropyl]-4-(4-morpholinyl)-1,2,5-thiadiazol-3(2H)-one
2-{2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propyl}-4-(4-morpholinyl)-1,2,5-thiadiazol-3(2H)-on [German] [ACD/IUPAC Name]
2-{2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propyl}-4-(4-morpholinyl)-1,2,5-thiadiazol-3(2H)-one [ACD/IUPAC Name]
2-{2-Hydroxy-3-[(2-méthyl-2-propanyl)amino]propyl}-4-(4-morpholinyl)-1,2,5-thiadiazol-3(2H)-one [French] [ACD/IUPAC Name]
1-(2-(tert-Butylamino)-2-hydroxyethyl)-4-morpholino-1H-imidazol-5(2H)-one

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

UNII:UR1ME7XC9B [DBID]
UR1ME7XC9B [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 466.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.0±6.0 kJ/mol
Flash Point: 235.9±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 82.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -3.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 234.2±7.0 cm3

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