ChemSpider 2D Image | (4-{[4-(1,3-Dimethoxy-2-propanyl)-1-piperazinyl]carbonyl}phenyl)boronic acid | C16H25BN2O5

(4-{[4-(1,3-Dimethoxy-2-propanyl)-1-piperazinyl]carbonyl}phenyl)boronic acid

  • Molecular FormulaC16H25BN2O5
  • Average mass336.191 Da
  • Monoisotopic mass336.185638 Da
  • ChemSpider ID72917529

More details:






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

(4-{[4-(1,3-Dimethoxy-2-propanyl)-1-piperazinyl]carbonyl}phenyl)boronic acid [ACD/IUPAC Name]
(4-{[4-(1,3-Dimethoxy-2-propanyl)-1-piperazinyl]carbonyl}phenyl)borsäure [German] [ACD/IUPAC Name]
Acide (4-{[4-(1,3-diméthoxy-2-propanyl)-1-pipérazinyl]carbonyl}phényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[[4-[2-methoxy-1-(methoxymethyl)ethyl]-1-piperazinyl]carbonyl]phenyl]- [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: 527.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.7±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 88.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 34.21
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 40.53
Polar Surface Area: 82 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 274.4±5.0 cm3

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