ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(3-methoxy-4-nitrophenyl)-3-methyl-1-piperazinecarboxylate | C17H25N3O5

2-Methyl-2-propanyl 4-(3-methoxy-4-nitrophenyl)-3-methyl-1-piperazinecarboxylate

  • Molecular FormulaC17H25N3O5
  • Average mass351.397 Da
  • Monoisotopic mass351.179413 Da
  • ChemSpider ID28539340

More details:

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

1417793-04-4 [RN]
1-Piperazinecarboxylic acid, 4-(3-methoxy-4-nitrophenyl)-3-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(3-methoxy-4-nitrophenyl)-3-methyl-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(3-methoxy-4-nitrophenyl)-3-methyl-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(3-Méthoxy-4-nitrophényl)-3-méthyl-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
4-(3-Methoxy-4-nitrophenyl)-3-methylpiperazine-1-carboxylic acid tert-butyl ester
4-(3-Methoxy-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester
4-(3-Methoxy-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylicacidtert-butylester
MFCD22631773 [MDL number]
tert-Butyl 4-(3-methoxy-4-nitrophenyl)-3-methylpiperazine-1-carboxylate
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 495.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.3±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.29
ACD/KOC (pH 5.5): 1161.05
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 134.30
ACD/KOC (pH 7.4): 1161.13
Polar Surface Area: 88 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 295.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement