ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[2-(4-{[(2Z)-2-(4-pentylbenzylidene)hydrazino]carbonyl}-1-piperidinyl)ethyl]-1-piperazinecarboxylate | C29H47N5O3

2-Methyl-2-propanyl 4-[2-(4-{[(2Z)-2-(4-pentylbenzylidene)hydrazino]carbonyl}-1-piperidinyl)ethyl]-1-piperazinecarboxylate

  • Molecular FormulaC29H47N5O3
  • Average mass513.715 Da
  • Monoisotopic mass513.367920 Da
  • ChemSpider ID101736214

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[4-[[(2Z)-2-[(4-pentylphenyl)methylene]hydrazinyl]carbonyl]-1-piperidinyl]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[2-(4-{[(2Z)-2-(4-pentylbenzylidene)hydrazino]carbonyl}-1-piperidinyl)ethyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[2-(4-{[(2Z)-2-(4-pentylbenzyliden)hydrazino]carbonyl}-1-piperidinyl)ethyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[2-(4-{[(2Z)-2-(4-Pentylbenzylidène)hydrazino]carbonyl}-1-pipéridinyl)éthyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 149.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 10.68
ACD/KOC (pH 5.5): 27.94
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 695.83
ACD/KOC (pH 7.4): 1820.59
Polar Surface Area: 77 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 458.0±7.0 cm3

Click to predict properties on the Chemicalize site


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