ChemSpider 2D Image | N-{(3S,4S)-4-[(6-Amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}-N'-(3-chlorobenzyl)-1,2-ethanediamine | C20H28ClN5

N-{(3S,4S)-4-[(6-Amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}-N'-(3-chlorobenzyl)-1,2-ethanediamine

  • Molecular FormulaC20H28ClN5
  • Average mass373.923 Da
  • Monoisotopic mass373.203339 Da
  • ChemSpider ID25044500

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2-Ethanediamine, N1-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl]-N2-[(3-chlorophenyl)methyl]- [ACD/Index Name]
N-{(3S,4S)-4-[(6-Amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}-N'-(3-chlorbenzyl)-1,2-ethandiamin [German] [ACD/IUPAC Name]
N-{(3S,4S)-4-[(6-Amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}-N'-(3-chlorobenzyl)-1,2-ethanediamine [ACD/IUPAC Name]
N-{(3S,4S)-4-[(6-Amino-4-méthyl-2-pyridinyl)méthyl]-3-pyrrolidinyl}-N'-(3-chlorobenzyl)-1,2-éthanediamine [French] [ACD/IUPAC 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: 560.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 108.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 309.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement