ChemSpider 2D Image | N-{[9-(Cyclopropylmethyl)-9H-beta-carbolin-1-yl]methyl}-N-[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]-1,4-butanediamine | C29H35N5

N-{[9-(Cyclopropylmethyl)-9H-β-carbolin-1-yl]methyl}-N-[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]-1,4-butanediamine

  • Molecular FormulaC29H35N5
  • Average mass453.622 Da
  • Monoisotopic mass453.289246 Da
  • ChemSpider ID76781841

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,4-Butanediamine, N1-[[9-(cyclopropylmethyl)-9H-pyrido[3,4-b]indol-1-yl]methyl]-N1-[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]- [ACD/Index Name]
N-{[9-(Cyclopropylmethyl)-9H-β-carbolin-1-yl]methyl}-N-[(8S)-5,6,7,8-tetrahydro-8-chinolinyl]-1,4-butandiamin [German] [ACD/IUPAC Name]
N-{[9-(Cyclopropylméthyl)-9H-β-carbolin-1-yl]méthyl}-N-[(8S)-5,6,7,8-tétrahydro-8-quinoléinyl]-1,4-butanediamine [French] [ACD/IUPAC Name]
N-{[9-(Cyclopropylmethyl)-9H-β-carbolin-1-yl]methyl}-N-[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]-1,4-butanediamine [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 654.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.6±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 60 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 355.6±7.0 cm3

Click to predict properties on the Chemicalize site


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