Found 86 results

Search term: MF = 'C_{29}H_{42}N_{4}O'
ChemSpider 2D Image | N-[(3R)-1,2,3,4-Tetrahydro-3-isoquinolinylmethyl]-N'-(tetrahydro-2H-pyran-4-ylmethyl)-N-[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]-1,4-butanediamine | C29H42N4O

N-[(3R)-1,2,3,4-Tetrahydro-3-isoquinolinylmethyl]-N'-(tetrahydro-2H-pyran-4-ylmethyl)-N-[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]-1,4-butanediamine

  • Molecular FormulaC29H42N4O
  • Average mass462.670 Da
  • Monoisotopic mass462.335876 Da
  • ChemSpider ID76789168

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,4-Butanediamine, N1-[[(3R)-1,2,3,4-tetrahydro-3-isoquinolinyl]methyl]-N4-[(tetrahydro-2H-pyran-4-yl)methyl]-N1-[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]- [ACD/Index Name]
N-[(3R)-1,2,3,4-Tétrahydro-3-isoquinoléinylméthyl]-N'-(tétrahydro-2H-pyran-4-ylméthyl)-N-[(8S)-5,6,7,8-tétrahydro-8-quinoléinyl]-1,4-butanediamine [French] [ACD/IUPAC Name]
N-[(3R)-1,2,3,4-Tetrahydro-3-isoquinolinylmethyl]-N'-(tetrahydro-2H-pyran-4-ylmethyl)-N-[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]-1,4-butanediamine [ACD/IUPAC Name]
N-[(8S)-5,6,7,8-Tetrahydro-8-chinolinyl]-N-[(3R)-1,2,3,4-tetrahydro-3-isochinolinylmethyl]-N'-(tetrahydro-2H-pyran-4-ylmethyl)-1,4-butandiamin [German] [ACD/IUPAC 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: 640.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.3±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 139.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 407.7±5.0 cm3

Click to predict properties on the Chemicalize site


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