ChemSpider 2D Image | (1R,2R,7R)-2-(Benzylamino)-7-[benzyl(3-fluorobenzyl)amino]cycloheptanol | C28H33FN2O

(1R,2R,7R)-2-(Benzylamino)-7-[benzyl(3-fluorobenzyl)amino]cycloheptanol

  • Molecular FormulaC28H33FN2O
  • Average mass432.573 Da
  • Monoisotopic mass432.257690 Da
  • ChemSpider ID80814557

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,7R)-2-(Benzylamino)-7-[benzyl(3-fluorbenzyl)amino]cycloheptanol [German] [ACD/IUPAC Name]
(1R,2R,7R)-2-(Benzylamino)-7-[benzyl(3-fluorobenzyl)amino]cycloheptanol [ACD/IUPAC Name]
(1R,2R,7R)-2-(Benzylamino)-7-[benzyl(3-fluorobenzyl)amino]cycloheptanol [French] [ACD/IUPAC Name]
Cycloheptanol, 2-[[(3-fluorophenyl)methyl](phenylmethyl)amino]-7-[(phenylmethyl)amino]-, (1R,2R,7R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.4±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 5.14
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 160.40
ACD/KOC (pH 7.4): 407.07
Polar Surface Area: 36 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 371.2±5.0 cm3

Click to predict properties on the Chemicalize site


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