ChemSpider 2D Image | 1-(6-Bromo-9-phenanthryl)-2-(diheptylamino)ethanol | C30H42BrNO

1-(6-Bromo-9-phenanthryl)-2-(diheptylamino)ethanol

  • Molecular FormulaC30H42BrNO
  • Average mass512.565 Da
  • Monoisotopic mass511.244965 Da
  • ChemSpider ID29474

More details:

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

(±)-6-bromo-?-(diheptylaminomethyl)-9-phenanthrenemethanol
1-(6-Brom-9-phenanthryl)-2-(diheptylamino)ethanol [German] [ACD/IUPAC Name]
1-(6-Bromo-9-phenanthryl)-2-(diheptylamino)ethanol [ACD/IUPAC Name]
1-(6-Bromo-9-phénanthryl)-2-(diheptylamino)éthanol [French] [ACD/IUPAC Name]
27022-39-5 [RN]
6-BROMO-α-(DIHEPTYLAMINOMETHYL)-9-PHENANTHRENEMETHANOL, (±)-
9-Phenanthrenemethanol, 6-bromo-α-[(diheptylamino)methyl]-
9-Phenanthrenemethanol, 6-bromo-α-[(diheptylamino)methyl]- [ACD/Index Name]
(±)-6-Bromo-α-((diheptylamino)methyl)-9-phenanthrenemethanol
1-(6-Bromophenanthren-9-yl)-2-(diheptylamino)ethanol
More...

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

1IP26U1AXI [DBID]
UNII:1IP26U1AXI [DBID]
AIDS026559 [DBID]
AIDS-026559 [DBID]
AIDS111727 [DBID]
AIDS-111727 [DBID]
BRN 2779970 [DBID]
NCI60_000723 [DBID]
NSC13307 [DBID]
WR 33063 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 621.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.4±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 11.00
ACD/LogD (pH 5.5): 7.27
ACD/BCF (pH 5.5): 38050.30
ACD/KOC (pH 5.5): 9483.80
ACD/LogD (pH 7.4): 8.59
ACD/BCF (pH 7.4): 808421.88
ACD/KOC (pH 7.4): 201494.23
Polar Surface Area: 23 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 443.3±3.0 cm3

Click to predict properties on the Chemicalize site


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