ChemSpider 2D Image | N-{(3S,4S)-4-[(6-Amino-2-pyridinyl)methyl]-3-pyrrolidinyl}-1,2-ethanediamine | C12H21N5

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

  • Molecular FormulaC12H21N5
  • Average mass235.329 Da
  • Monoisotopic mass235.179703 Da
  • ChemSpider ID24714283

  • 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-2-pyridinyl)methyl]-3-pyrrolidinyl]- [ACD/Index Name]
N-{(3S,4S)-4-[(6-Amino-2-pyridinyl)methyl]-3-pyrrolidinyl}-1,2-ethandiamin [German] [ACD/IUPAC Name]
N-{(3S,4S)-4-[(6-Amino-2-pyridinyl)methyl]-3-pyrrolidinyl}-1,2-ethanediamine [ACD/IUPAC Name]
N-{(3S,4S)-4-[(6-Amino-2-pyridinyl)méthyl]-3-pyrrolidinyl}-1,2-éthanediamine [French] [ACD/IUPAC Name]
N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine
(±)-N1-{cis-4'-[(6''-aminopyridin-2''-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine
aminopyridine-pyrrolidine, 5
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL510760/
JI2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 443.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 221.8±28.7 °C
Index of Refraction: 1.600
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -5.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 202.9±5.0 cm3

Click to predict properties on the Chemicalize site


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