ChemSpider 2D Image | (S,S)-(2,5-Furandiyldi-4,1-phenylene)bis{N-[(2R)-2-pentanyl]methanediamine} | C28H40N4O

(S,S)-(2,5-Furandiyldi-4,1-phenylene)bis{N-[(2R)-2-pentanyl]methanediamine}

  • Molecular FormulaC28H40N4O
  • Average mass448.643 Da
  • Monoisotopic mass448.320221 Da
  • ChemSpider ID25057710
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(S,S)-(2,5-Furandiyldi-4,1-phenylen)bis{N-[(2R)-2-pentanyl]methandiamin} [German] [ACD/IUPAC Name]
(S,S)-(2,5-Furandiyldi-4,1-phenylene)bis{N-[(2R)-2-pentanyl]methanediamine} [ACD/IUPAC Name]
(S,S)-(2,5-Furanediyldi-4,1-phénylène)bis{N-[(2R)-2-pentanyl]méthanediamine} [French] [ACD/IUPAC Name]
(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine}
Methanediamine, 1,1'-(2,5-furandiyldi-4,1-phenylene)bis[N-[(1R)-1-methylbutyl]-, (S,S)- [ACD/Index Name]
2,5-BIS{[4-(2-PENTYL)DIAMINOMETHYL]PHENYL}FURAN
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39916

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 567.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.7±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 138.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.75
Polar Surface Area: 89 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 427.7±3.0 cm3

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