ChemSpider 2D Image | 3-({(3S,4S)-4-[(6-Amino-2-pyridinyl)methyl]-3-pyrrolidinyl}amino)-1-propanol | C13H22N4O

3-({(3S,4S)-4-[(6-Amino-2-pyridinyl)methyl]-3-pyrrolidinyl}amino)-1-propanol

  • Molecular FormulaC13H22N4O
  • Average mass250.340 Da
  • Monoisotopic mass250.179367 Da
  • ChemSpider ID24696587

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Propanol, 3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]-3-pyrrolidinyl]amino]- [ACD/Index Name]
3-({(3S,4S)-4-[(6-Amino-2-pyridinyl)methyl]-3-pyrrolidinyl}amino)-1-propanol [German] [ACD/IUPAC Name]
3-({(3S,4S)-4-[(6-Amino-2-pyridinyl)methyl]-3-pyrrolidinyl}amino)-1-propanol [ACD/IUPAC Name]
3-({(3S,4S)-4-[(6-Amino-2-pyridinyl)méthyl]-3-pyrrolidinyl}amino)-1-propanol [French] [ACD/IUPAC Name]
(±)-3-{cis-4'-[(6''-aminopyridin-2''-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol
aminopyridine-pyrrolidine, 4
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL475797/
JI1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 467.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.5±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 72.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -4.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 212.9±5.0 cm3

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