ChemSpider 2D Image | N-[(2S)-3,4-Dihydro-2H-chromen-2-ylmethyl]-N'-(1,4,5,6-tetrahydro-2-pyrimidinyl)-1,3-propanediamine | C17H26N4O

N-[(2S)-3,4-Dihydro-2H-chromen-2-ylmethyl]-N'-(1,4,5,6-tetrahydro-2-pyrimidinyl)-1,3-propanediamine

  • Molecular FormulaC17H26N4O
  • Average mass302.414 Da
  • Monoisotopic mass302.210663 Da
  • ChemSpider ID23178171

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Propanediamine, N1-[[(2S)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl]-N3-(1,4,5,6-tetrahydro-2-pyrimidinyl)- [ACD/Index Name]
N-[(2S)-3,4-Dihydro-2H-chromen-2-ylmethyl]-N'-(1,4,5,6-tetrahydro-2-pyrimidinyl)-1,3-propandiamin [German] [ACD/IUPAC Name]
N-[(2S)-3,4-Dihydro-2H-chromen-2-ylmethyl]-N'-(1,4,5,6-tetrahydro-2-pyrimidinyl)-1,3-propanediamine [ACD/IUPAC Name]
N-[(2S)-3,4-Dihydro-2H-chromén-2-ylméthyl]-N'-(1,4,5,6-tétrahydro-2-pyrimidinyl)-1,3-propanediamine [French] [ACD/IUPAC Name]
N-[(2S)-3,4-dihydro-2H-chromen-2-ylmethyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
N-(S)-1-Chroman-2-ylmethyl-N'-(1,4,5,6-tetrahydro-pyrimidin-2-yl)-propane-1,3-diamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 467.8±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 236.7±29.3 °C
Index of Refraction: 1.624
Molar Refractivity: 86.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -2.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 246.1±7.0 cm3

Click to predict properties on the Chemicalize site


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