ChemSpider 2D Image | NVJ76B897D | C36H62N4O2


  • Molecular FormulaC36H62N4O2
  • Average mass582.903 Da
  • Monoisotopic mass582.487305 Da
  • ChemSpider ID3965

More details:

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

1,8-Octanediamine, N1,N8-bis[6-[[(2-methoxyphenyl)methyl]amino]hexyl]- [ACD/Index Name]
104807-40-1 [RN]
N,N'-Bis{6-[(2-methoxybenzyl)amino]hexyl}-1,8-octandiamin [German] [ACD/IUPAC Name]
N,N'-Bis{6-[(2-methoxybenzyl)amino]hexyl}-1,8-octanediamine [ACD/IUPAC Name]
N,N'-Bis{6-[(2-méthoxybenzyl)amino]hexyl}-1,8-octanediamine [French] [ACD/IUPAC Name]
104807-46-7 [RN]
3967-44-0 [RN]

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

Lopac-M-105 [DBID]
NCGC00015626-01 [DBID]
  • Miscellaneous
    • Chemical Class:

      A tetramine that is <element>N</element>,<element>N</element>'-bis(6-aminohexyl)octane-1,8-diamine where the primary amino groups both carry 2-methoxybenzyl substituents. ChEBI CHEBI:73339

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

Density: 1.0±0.1 g/cm3
Boiling Point: 681.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 316.7±21.0 °C
Index of Refraction: 1.518
Molar Refractivity: 180.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 596.4±3.0 cm3

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