ChemSpider 2D Image | (3R)-3-Amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)-1-pyrrolidinyl]-1-butanone | C21H24Cl2N2O2

(3R)-3-Amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)-1-pyrrolidinyl]-1-butanone

  • Molecular FormulaC21H24Cl2N2O2
  • Average mass407.333 Da
  • Monoisotopic mass406.121490 Da
  • ChemSpider ID35035683

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R)-3-Amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)-1-pyrrolidinyl]-1-butanone [ACD/IUPAC Name]
(3R)-3-Amino-4-(4-chlorophényl)-1-[(3R,4S)-3-(4-chlorophényl)-4-(hydroxyméthyl)-1-pyrrolidinyl]-1-butanone [French] [ACD/IUPAC Name]
(3r)-3-Amino-4-(4-Chlorophenyl)-1-[(3r,4s)-3-(4-Chlorophenyl)-4-(Hydroxymethyl)pyrrolidin-1-Yl]butan-1-One
(3R)-3-Amino-4-(4-chlorphenyl)-1-[(3R,4S)-3-(4-chlorphenyl)-4-(hydroxymethyl)-1-pyrrolidinyl]-1-butanon [German] [ACD/IUPAC Name]
1-Butanone, 3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)-1-pyrrolidinyl]-, (3R)- [ACD/Index Name]
A6M
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3344388/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 603.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 318.7±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.19
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 39.96
ACD/KOC (pH 7.4): 315.68
Polar Surface Area: 67 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 315.5±3.0 cm3

Click to predict properties on the Chemicalize site


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