ChemSpider 2D Image | 4-(4-(tert-Butoxycarbonyl)-3-methylpiperazin-1-yl)benzoic acid | C17H24N2O4

4-(4-(tert-Butoxycarbonyl)-3-methylpiperazin-1-yl)benzoic acid

  • Molecular FormulaC17H24N2O4
  • Average mass320.384 Da
  • Monoisotopic mass320.173615 Da
  • ChemSpider ID23960714

More details:

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

1131594-97-2 [RN]
1-Piperazinecarboxylic acid, 4-(4-carboxyphenyl)-2-methyl-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
4-(3-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)benzoesäure [German] [ACD/IUPAC Name]
4-(3-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)benzoic acid [ACD/IUPAC Name]
4-(4-(tert-Butoxycarbonyl)-3-methylpiperazin-1-yl)benzoic acid
4-{4-[(TERT-BUTOXY)CARBONYL]-3-METHYLPIPERAZIN-1-YL}BENZOIC ACID
Acide 4-(3-méthyl-4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1-pipérazinyl)benzoïque [French] [ACD/IUPAC Name]
[1131594-97-2] [RN]
1-(4-carboxyphenyl)-3-methyl-4-Boc piperazine
4-(4-carboxyphenyl)-2-methyl-1-Piperazinecarboxylic acid 1-(1,1-dimethylethyl) ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 480.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 244.3±27.3 °C
Index of Refraction: 1.548
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 35.57
ACD/KOC (pH 5.5): 289.89
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.63
Polar Surface Area: 70 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 272.5±3.0 cm3

Click to predict properties on the Chemicalize site


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