ChemSpider 2D Image | 1-[3-({[2-(Heptyloxy)phenyl]carbamoyl}oxy)propyl]pyrrolidinium | C21H35N2O3

1-[3-({[2-(Heptyloxy)phenyl]carbamoyl}oxy)propyl]pyrrolidinium

  • Molecular FormulaC21H35N2O3
  • Average mass363.514 Da
  • Monoisotopic mass363.264221 Da
  • ChemSpider ID95587590

  • Charge - Charge

More details:

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

1-[3-({[2-(Heptyloxy)phenyl]carbamoyl}oxy)propyl]pyrrolidinium [German] [ACD/IUPAC Name]
1-[3-({[2-(Heptyloxy)phenyl]carbamoyl}oxy)propyl]pyrrolidinium [ACD/IUPAC Name]
1-[3-({[2-(Heptyloxy)phényl]carbamoyl}oxy)propyl]pyrrolidinium [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-(heptyloxy)phenyl]-, 3-(1-pyrrolidinyl)propyl ester, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 460.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.4±24.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 24.86
ACD/KOC (pH 5.5): 46.13
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 94.48
ACD/KOC (pH 7.4): 175.29
Polar Surface Area: 52 Å2
Polarizability:
Surface Tension:
Molar Volume:

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