Found 1 result

Search term: SRHPEGNNGBCZMB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R)-12-Azatricyclo[7.2.1.0~2,7~]dodeca-2,4,6-triene | C11H13N

(1R)-12-Azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

  • Molecular FormulaC11H13N
  • Average mass159.228 Da
  • Monoisotopic mass159.104797 Da
  • ChemSpider ID23214635

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1R)-12-Azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien [German] [ACD/IUPAC Name]
(1R)-12-Azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene [ACD/IUPAC Name]
(1R)-12-Azatricyclo[7.2.1.02,7]dodéca-2,4,6-triène [French] [ACD/IUPAC Name]
(5R)-6,7,8,9-tetrahydro-5H-5,8-epiminobenzo[7]annulene
5H-Benzocyclohepten-5,8-imine, 6,7,8,9-tetrahydro-, (5R)- [ACD/Index Name]
12-Aza-tricyclo[7.2.1.0*2,7*]dodeca-2(7),3,5-triene

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

Density: 1.1±0.1 g/cm3
Boiling Point: 272.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 124.6±14.2 °C
Index of Refraction: 1.573
Molar Refractivity: 49.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.22
Polar Surface Area: 12 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 148.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement