Found 2 results

Search term: BNIJJJRESBVRNB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[2,2-Bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(3-pentanylamino)benzoate | C18H25N2O5

4-[2,2-Bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(3-pentanylamino)benzoate

  • Molecular FormulaC18H25N2O5
  • Average mass349.402 Da
  • Monoisotopic mass349.176910 Da
  • ChemSpider ID21201745

  • Charge - Charge

More details:

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

4-[2,2-Bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(3-pentanylamino)benzoat [German] [ACD/IUPAC Name]
4-[2,2-Bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(3-pentanylamino)benzoate [ACD/IUPAC Name]
4-[2,2-Bis(hydroxyméthyl)-5-oxo-1-pyrrolidinyl]-3-(3-pentanylamino)benzoate [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-[(1-ethylpropyl)amino]-, ion(1-) [ACD/Index Name]
4-(2,2-Bis-hydroxymethyl-5-oxo-pyrrolidin-1-yl)-3-(1-ethyl-propylamino)-benzoic acid anion

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

Density:
Boiling Point: 654.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.8±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.85
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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