ChemSpider 2D Image | 4-(4-Chlorobenzyl)-1-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinaminium | C18H21ClN5

4-(4-Chlorobenzyl)-1-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinaminium

  • Molecular FormulaC18H21ClN5
  • Average mass342.845 Da
  • Monoisotopic mass342.148010 Da
  • ChemSpider ID22377581
  • Charge - Charge


More details:






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

4-(4-Chlorbenzyl)-1-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinaminium [German] [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-1-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinaminium [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-1-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-pipéridinaminium [French] [ACD/IUPAC Name]
4-Piperidinamine, 4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, conjugate monoacid [ACD/Index Name]
4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium
4-[(4-chlorophenyl)methyl]-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidin-4-aminium

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 3.93
ACD/KOC (pH 7.4): 38.06
Polar Surface Area: 72 Å2
Polarizability:
Surface Tension:
Molar Volume:

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