ChemSpider 2D Image | AL-38022A | C13H17N3O

AL-38022A

  • Molecular FormulaC13H17N3O
  • Average mass231.294 Da
  • Monoisotopic mass231.137161 Da
  • ChemSpider ID26286943

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(8,9-Dihydropyrano[2,3-g]indazol-1(7H)-yl)-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-(8,9-Dihydropyrano[2,3-g]indazol-1(7H)-yl)-2-propanamine [ACD/IUPAC Name]
(2S)-1-(8,9-Dihydropyrano[2,3-g]indazol-1(7H)-yl)-2-propanamine [French] [ACD/IUPAC Name]
478132-11-5 [RN]
AL-38022A [Wiki]
Pyrano[2,3-g]indazole-1(7H)-ethanamine, 8,9-dihydro-α-methyl-, (αS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 403.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.6±25.4 °C
Index of Refraction: 1.668
Molar Refractivity: 64.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.76
Polar Surface Area: 53 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 174.3±7.0 cm3

Click to predict properties on the Chemicalize site


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