Found 2 results

Search term: MF = 'C_{25}H_{31}BrN'
ChemSpider 2D Image | (3'-Bromo-4-biphenylyl)-N-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-N,N-dimethylmethanaminium | C25H31BrN

(3'-Bromo-4-biphenylyl)-N-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-N,N-dimethylmethanaminium

  • Molecular FormulaC25H31BrN
  • Average mass425.424 Da
  • Monoisotopic mass424.163422 Da
  • ChemSpider ID28651950

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3'-Brom-4-biphenylyl)-N-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-N,N-dimethylmethanaminium [German] [ACD/IUPAC Name]
(3'-Bromo-4-biphenylyl)-N-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-N,N-dimethylmethanaminium [ACD/IUPAC Name]
(3'-Bromo-4-biphénylyl)-N-{[(1R,5S)-6,6-diméthylbicyclo[3.1.1]hept-2-én-2-yl]méthyl}-N,N-diméthylméthanaminium [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]hept-2-ene-2-methanaminium, N-[(3'-bromo[1,1'-biphenyl]-4-yl)methyl]-N,N,6,6-tetramethyl-, (1R,5S)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.40
ACD/KOC (pH 5.5): 419.63
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.40
ACD/KOC (pH 7.4): 419.63
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

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