Found 4 results

Search term: MF = 'C_{33}H_{45}N_{3}'
ChemSpider 2D Image | (2R)-3-Cyclohexyl-N~1~-methyl-N~2~-[(2S)-3-(2-naphthyl)-2-{[(1-phenylcyclopropyl)methyl]amino}propyl]-1,2-propanediamine | C33H45N3

(2R)-3-Cyclohexyl-N1-methyl-N2-[(2S)-3-(2-naphthyl)-2-{[(1-phenylcyclopropyl)methyl]amino}propyl]-1,2-propanediamine

  • Molecular FormulaC33H45N3
  • Average mass483.730 Da
  • Monoisotopic mass483.361359 Da
  • ChemSpider ID30824248

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-Cyclohexyl-N1-methyl-N2-[(2S)-3-(2-naphthyl)-2-{[(1-phenylcyclopropyl)methyl]amino}propyl]-1,2-propandiamin [German] [ACD/IUPAC Name]
(2R)-3-Cyclohexyl-N1-methyl-N2-[(2S)-3-(2-naphthyl)-2-{[(1-phenylcyclopropyl)methyl]amino}propyl]-1,2-propanediamine [ACD/IUPAC Name]
(2R)-3-Cyclohexyl-N1-méthyl-N2-[(2S)-3-(2-naphtyl)-2-{[(1-phénylcyclopropyl)méthyl]amino}propyl]-1,2-propanediamine [French] [ACD/IUPAC Name]
1,2-Propanediamine, 3-cyclohexyl-N1-methyl-N2-[(2S)-3-(2-naphthalenyl)-2-[[(1-phenylcyclopropyl)methyl]amino]propyl]-, (2R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 636.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 362.1±23.8 °C
Index of Refraction: 1.589
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 4.95
ACD/KOC (pH 5.5): 7.47
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 6.15
ACD/KOC (pH 7.4): 9.28
Polar Surface Area: 36 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 457.0±3.0 cm3

Click to predict properties on the Chemicalize site


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