ChemSpider 2D Image | 2,2-bis(4-(4-amino-3-hydroxyphenoxy)phenyl)adamantane | C34H34N2O4

2,2-bis(4-(4-amino-3-hydroxyphenoxy)phenyl)adamantane

  • Molecular FormulaC34H34N2O4
  • Average mass534.645 Da
  • Monoisotopic mass534.251831 Da
  • ChemSpider ID352756

More details:

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

2,2-bis(4-(4-amino-3-hydroxyphenoxy)phenyl)adamantane
3,3'-[Tricyclo[3.3.1.13,7]decan-2,2-diylbis(4,1-phenylenoxy)]bis(6-aminophenol) [German] [ACD/IUPAC Name]
3,3'-[Tricyclo[3.3.1.13,7]decane-2,2-diylbis(4,1-phenyleneoxy)]bis(6-aminophenol) [ACD/IUPAC Name]
3,3'-[Tricyclo[3.3.1.13,7]décane-2,2-diylbis(4,1-phénylèneoxy)]bis(6-aminophénol) [French] [ACD/IUPAC Name]
Phenol, 3,3'-[tricyclo[3.3.1.13,7]dec-2-ylidenebis(4,1-phenyleneoxy)]bis[6-amino- [ACD/Index Name]
2,2-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]adamantane

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

NCI60_037995 [DBID]
NSC706832 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 379.3±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 156.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 10731.06
ACD/KOC (pH 5.5): 22037.05
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19479.49
ACD/KOC (pH 7.4): 40002.62
Polar Surface Area: 111 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 408.8±3.0 cm3

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