ChemSpider 2D Image | 1-[(2S)-2-{[Benzyl(cyclopropyl)amino]methyl}-1-pyrrolidinyl]-2-chloroethanone | C17H23ClN2O

1-[(2S)-2-{[Benzyl(cyclopropyl)amino]methyl}-1-pyrrolidinyl]-2-chloroethanone

  • Molecular FormulaC17H23ClN2O
  • Average mass306.830 Da
  • Monoisotopic mass306.149902 Da
  • ChemSpider ID28300305

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2S)-2-{[Benzyl(cyclopropyl)amino]methyl}-1-pyrrolidinyl]-2-chlorethanon [German] [ACD/IUPAC Name]
1-[(2S)-2-{[Benzyl(cyclopropyl)amino]methyl}-1-pyrrolidinyl]-2-chloroethanone [ACD/IUPAC Name]
1-[(2S)-2-{[Benzyl(cyclopropyl)amino]méthyl}-1-pyrrolidinyl]-2-chloroéthanone [French] [ACD/IUPAC Name]
1-[(2S)-2-{[BENZYL(CYCLOPROPYL)AMINO]METHYL}PYRROLIDIN-1-YL]-2-CHLOROETHAN-1-ONE
1354004-11-7 [RN]
Ethanone, 2-chloro-1-[(2S)-2-[[cyclopropyl(phenylmethyl)amino]methyl]-1-pyrrolidinyl]- [ACD/Index Name]
(S)-1-(2-((Benzyl(cyclopropyl)amino)methyl)pyrrolidin-1-yl)-2-chloroethanone
1-[(2S)-2-{[BENZYL(CYCLOPROPYL)AMINO]METHYL}PYRROLIDIN-1-YL]-2-CHLOROETHANONE
1-{(S)-2-[(Benzyl-cyclopropyl-amino)-methyl ]-pyrrolidin-1-yl}-2-chloro-ethanone
1-{(S)-2-[(Benzylcyclopropylamino)methyl]pyrrolidin-1-yl}-2-chloroethanone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 449.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.7±23.2 °C
Index of Refraction: 1.590
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.61
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 12.77
ACD/KOC (pH 7.4): 132.73
Polar Surface Area: 24 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 255.5±5.0 cm3

Click to predict properties on the Chemicalize site


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