Deprecated ChemSpider Record

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ChemSpider 2D Image | 1-(2,5-Diethoxy-4-propylphenyl)-2-butanamine | C17H29NO2

1-(2,5-Diethoxy-4-propylphenyl)-2-butanamine

  • Molecular FormulaC17H29NO2
  • Average mass279.418 Da
  • Monoisotopic mass279.219818 Da
  • ChemSpider ID15468207

More details:





Date of deprecation: 13:33, Feb 22, 2024
Reason for deprecation: Deprecate record: Testing Bad record 2

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Density: 1.0±0.0 g/cm3
Boiling Point: 383.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 63.2±0.0 kJ/mol
Flash Point: 204.7±0.0 °C
Index of Refraction: 1.501
Molar Refractivity: 85.4±0.0 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 8.20
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 11.39
ACD/KOC (pH 7.4): 42.28
Polar Surface Area: 44 Å2
Polarizability: 33.8±0.0 10-24cm3
Surface Tension: 33.9±0.0 dyne/cm
Molar Volume: 289.7±0.0 cm3

Click to predict properties on the Chemicalize site






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