ChemSpider 2D Image | N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+) | C18H21ClNO2

N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+)

  • Molecular FormulaC18H21ClNO2
  • Average mass318.817 Da
  • Monoisotopic mass318.125519 Da
  • ChemSpider ID27471354

  • Charge - Charge

More details:

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

1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-3-methyl-1-(3-methylphenyl)-, conjugate acid [ACD/Index Name]
6-Chlor-7,8-dihydroxy-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepinium [German] [ACD/IUPAC Name]
6-Chloro-7,8-dihydroxy-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepinium [ACD/IUPAC Name]
6-Chloro-7,8-dihydroxy-3-méthyl-1-(3-méthylphényl)-2,3,4,5-tétrahydro-1H-3-benzazépinium [French] [ACD/IUPAC Name]
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+)
SKF 83959 cation
SKF 83959(1+)

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

CHEBI:64000 [DBID]
  • Miscellaneous

    • Chemical Class:

      An organic cation obtained by protonation of the tertiary amino function of N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol. ChEBI CHEBI:64000

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

Density:
Boiling Point: 464.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 234.8±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 25.51
ACD/KOC (pH 5.5): 155.84
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 338.44
ACD/KOC (pH 7.4): 2067.71
Polar Surface Area: 45 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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