ChemSpider 2D Image | 1-BOC-3-[(3-FLUOROBENZYL-AMINO)-METHYL]-PYRROLIDINE | C17H25FN2O2

1-BOC-3-[(3-FLUOROBENZYL-AMINO)-METHYL]-PYRROLIDINE

  • Molecular FormulaC17H25FN2O2
  • Average mass308.391 Da
  • Monoisotopic mass308.190002 Da
  • ChemSpider ID28559465

More details:

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

1-BOC-3-[(3-FLUOROBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-Pyrrolidinecarboxylic acid, 3-[[[(3-fluorophenyl)methyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[(3-fluorobenzyl)amino]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[(3-fluorbenzyl)amino]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-{[(3-Fluorobenzyl)amino]méthyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
887590-99-0 [RN]
1-boc-3-[(3-fluorobenzylamino)methyl]pyrrolidine
1-boc-3-[(3-fluorobenzyl-amino)-methyl]pyrrolidine
MFCD07786155
tert-Butyl 3-(((3-fluorobenzyl)amino)methyl)pyrrolidine-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 391.0±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 190.3±20.9 °C
Index of Refraction: 1.517
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 3.42
ACD/KOC (pH 7.4): 28.71
Polar Surface Area: 42 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 278.3±3.0 cm3

Click to predict properties on the Chemicalize site


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