ChemSpider 2D Image | BENZYL 3-[(2-CHLORO-N-METHYLACETAMIDO)METHYL]PYRROLIDINE-1-CARBOXYLATE | C16H21ClN2O3

BENZYL 3-[(2-CHLORO-N-METHYLACETAMIDO)METHYL]PYRROLIDINE-1-CARBOXYLATE

  • Molecular FormulaC16H21ClN2O3
  • Average mass324.802 Da
  • Monoisotopic mass324.124084 Da
  • ChemSpider ID28297815

More details:

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

1353988-40-5 [RN]
1-Pyrrolidinecarboxylic acid, 3-[[(2-chloroacetyl)methylamino]methyl]-, phenylmethyl ester [ACD/Index Name]
3-{[(2-Chloroacétyl)(méthyl)amino]méthyl}-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
BENZYL 3-[(2-CHLORO-N-METHYLACETAMIDO)METHYL]PYRROLIDINE-1-CARBOXYLATE
Benzyl 3-{[(chloroacetyl)(methyl)amino]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-3-{[(chloracetyl)(methyl)amino]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-{[(2-Chloro-acetyl)-methyl-amino]-methyl }-pyrrolidine-1-carboxylic acid benzyl ester
3-{[(2-Chloroacetyl)methylamino]methyl}pyrrolidine-1-carboxylic acid benzyl ester
3-{[(2-Chloro-acetyl)-methyl-amino]-methyl}pyrrolidine-1-carboxylic acid benzyl ester
3-{[(2-Chloro-acetyl)-methyl-amino]-methyl}-pyrrolidine-1-carboxylic acid benzyl ester
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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: 466.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.7±24.6 °C
Index of Refraction: 1.553
Molar Refractivity: 84.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.51
ACD/KOC (pH 5.5): 420.66
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.51
ACD/KOC (pH 7.4): 420.66
Polar Surface Area: 50 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 264.4±3.0 cm3

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