ChemSpider 2D Image | 3-{[(4-{[(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]amino}butyl)amino]methyl}benzoic acid | C17H22N4O4

3-{[(4-{[(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]amino}butyl)amino]methyl}benzoic acid

  • Molecular FormulaC17H22N4O4
  • Average mass346.381 Da
  • Monoisotopic mass346.164093 Da
  • ChemSpider ID24604842

More details:

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

3-{[(4-{[(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]amino}butyl)amino]methyl}benzoesäure [German] [ACD/IUPAC Name]
3-{[(4-{[(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]amino}butyl)amino]methyl}benzoic acid [ACD/IUPAC Name]
3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
Acide 3-{[(4-{[(2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)méthyl]amino}butyl)amino]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[4-[[(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)methyl]amino]butyl]amino]methyl]- [ACD/Index Name]
3FL
6-[4-[(3-Carboxybenzylamino)butylamino]methyl]uracil
6-[4-[(3-Carboxybenzylamino)butylamino]methyl]uracil, 27

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 277.3±3.0 cm3

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