ChemSpider 2D Image | 4-[2,2-Bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-[(dipropylamino)methyl]benzoic acid | C20H30N2O5

4-[2,2-Bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-[(dipropylamino)methyl]benzoic acid

  • Molecular FormulaC20H30N2O5
  • Average mass378.463 Da
  • Monoisotopic mass378.215485 Da
  • ChemSpider ID35035226

More details:

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

4-[2,2-Bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-[(dipropylamino)methyl]benzoesäure [German] [ACD/IUPAC Name]
4-[2,2-Bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-[(dipropylamino)methyl]benzoic acid [ACD/IUPAC Name]
4-[2,2-Bis(Hydroxymethyl)-5-Oxopyrrolidin-1-Yl]-3-[(Dipropylamino)methyl]benzoic Acid
Acide 4-[2,2-bis(hydroxyméthyl)-5-oxo-1-pyrrolidinyl]-3-[(dipropylamino)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-[(dipropylamino)methyl]- [ACD/Index Name]
3LV

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.7±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 311.2±3.0 cm3

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