ChemSpider 2D Image | (4R)-4-[(4-Biphenylylmethyl)amino]-1-(3-chlorobenzyl)-N,N-diethyl-L-prolinamide | C29H34ClN3O

(4R)-4-[(4-Biphenylylmethyl)amino]-1-(3-chlorobenzyl)-N,N-diethyl-L-prolinamide

  • Molecular FormulaC29H34ClN3O
  • Average mass476.053 Da
  • Monoisotopic mass475.239044 Da
  • ChemSpider ID22865176

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-4-[(4-Biphenylylmethyl)amino]-1-(3-chlorbenzyl)-N,N-diethyl-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-4-[(4-Biphenylylmethyl)amino]-1-(3-chlorobenzyl)-N,N-diethyl-L-prolinamide [ACD/IUPAC Name]
(4R)-4-[(4-Biphénylylméthyl)amino]-1-(3-chlorobenzyl)-N,N-diéthyl-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-[([1,1'-biphenyl]-4-ylmethyl)amino]-1-[(3-chlorophenyl)methyl]-N,N-diethyl-, (2S,4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.3±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 12.31
ACD/KOC (pH 5.5): 33.44
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 565.95
ACD/KOC (pH 7.4): 1537.88
Polar Surface Area: 36 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 398.4±5.0 cm3

Click to predict properties on the Chemicalize site


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