Found 4 results

Search term: LRULVYSBRWUVGR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-{[4-({[(1S,2R)-2-Phenylcyclopropyl]amino}methyl)-1-piperidinyl]methyl}benzoic acid | C23H28N2O2

4-{[4-({[(1S,2R)-2-Phenylcyclopropyl]amino}methyl)-1-piperidinyl]methyl}benzoic acid

  • Molecular FormulaC23H28N2O2
  • Average mass364.481 Da
  • Monoisotopic mass364.215088 Da
  • ChemSpider ID58914724

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[4-({[(1S,2R)-2-Phenylcyclopropyl]amino}methyl)-1-piperidinyl]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[4-({[(1S,2R)-2-Phenylcyclopropyl]amino}methyl)-1-piperidinyl]methyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{[4-({[(1S,2R)-2-phénylcyclopropyl]amino}méthyl)-1-pipéridinyl]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]-1-piperidinyl]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 276.9±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.39
Polar Surface Area: 53 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 301.8±5.0 cm3

Click to predict properties on the Chemicalize site


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