ChemSpider 2D Image | 1-[1-(2-Cyanobenzyl)-5-methyl-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl]-3-piperidinaminium | C19H21N6O2

1-[1-(2-Cyanobenzyl)-5-methyl-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl]-3-piperidinaminium

  • Molecular FormulaC19H21N6O2
  • Average mass365.409 Da
  • Monoisotopic mass365.172058 Da
  • ChemSpider ID22377532
  • Charge - Charge


More details:






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

1-[1-(2-Cyanbenzyl)-5-methyl-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl]-3-piperidinaminium [German] [ACD/IUPAC Name]
1-[1-(2-Cyanobenzyl)-5-methyl-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl]-3-piperidinaminium [ACD/IUPAC Name]
1-[1-(2-Cyanobenzyl)-5-méthyl-4,6-dioxo-1,4,5,6-tétrahydropyrrolo[3,4-d]imidazol-2-yl]-3-pipéridinaminium [French] [ACD/IUPAC Name]
Benzonitrile, 2-[[2-(3-amino-1-piperidinyl)-5,6-dihydro-5-methyl-4,6-dioxopyrrolo[3,4-d]imidazol-1(4H)-yl]methyl]-, conjugate monoacid [ACD/Index Name]
1-(1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)piperidin-3-aminium

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

Density:
Boiling Point: 611.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.4±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -2.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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