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Search term: KSSJMTFPUHOMMH-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(2,3-Dihydro-1-benzofuran-7-ylmethyl)-8-{4-[(dimethylamino)methyl]phenyl}[1,2,4]triazolo[4,3-c]pyrimidin-5-amine | C23H24N6O

N-(2,3-Dihydro-1-benzofuran-7-ylmethyl)-8-{4-[(dimethylamino)methyl]phenyl}[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

  • Molecular FormulaC23H24N6O
  • Average mass400.476 Da
  • Monoisotopic mass400.201172 Da
  • ChemSpider ID129202083

More details:

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

1,2,4-Triazolo[4,3-c]pyrimidin-5-amine, N-[(2,3-dihydro-7-benzofuranyl)methyl]-8-[4-[(dimethylamino)methyl]phenyl]- [ACD/Index Name]
N-(2,3-Dihydro-1-benzofuran-7-ylmethyl)-8-{4-[(dimethylamino)methyl]phenyl}[1,2,4]triazolo[4,3-c]pyrimidin-5-amin [German] [ACD/IUPAC Name]
N-(2,3-Dihydro-1-benzofuran-7-ylmethyl)-8-{4-[(dimethylamino)methyl]phenyl}[1,2,4]triazolo[4,3-c]pyrimidin-5-amine [ACD/IUPAC Name]
N-(2,3-Dihydro-1-benzofuran-7-ylméthyl)-8-{4-[(diméthylamino)méthyl]phényl}[1,2,4]triazolo[4,3-c]pyrimidin-5-amine [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.13
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 9.83
ACD/KOC (pH 7.4): 107.77
Polar Surface Area: 68 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 305.2±7.0 cm3

Click to predict properties on the Chemicalize site


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