ChemSpider 2D Image | 1-[(3R,4R)-1-(4-Iodobenzyl)-4-phenyl-3-pyrrolidinyl]methanamine | C18H21IN2

1-[(3R,4R)-1-(4-Iodobenzyl)-4-phenyl-3-pyrrolidinyl]methanamine

  • Molecular FormulaC18H21IN2
  • Average mass392.277 Da
  • Monoisotopic mass392.074921 Da
  • ChemSpider ID63914773

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3R,4R)-1-(4-Iodbenzyl)-4-phenyl-3-pyrrolidinyl]methanamin [German] [ACD/IUPAC Name]
1-[(3R,4R)-1-(4-Iodobenzyl)-4-phenyl-3-pyrrolidinyl]methanamine [ACD/IUPAC Name]
1-[(3R,4R)-1-(4-Iodobenzyl)-4-phényl-3-pyrrolidinyl]méthanamine [French] [ACD/IUPAC Name]
3-Pyrrolidinemethanamine, 1-[(4-iodophenyl)methyl]-4-phenyl-, (3R,4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 446.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 223.9±25.9 °C
Index of Refraction: 1.638
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 29 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 269.1±3.0 cm3

Click to predict properties on the Chemicalize site


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