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Search term: IMYQEAUQRXPUJS (Found by InChIKey (skeleton match))

ChemSpider 2D Image | beta-aminoorcein | C28H24N2O6

β-aminoorcein

  • Molecular FormulaC28H24N2O6
  • Average mass484.500 Da
  • Monoisotopic mass484.163422 Da
  • ChemSpider ID28475363

More details:






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

1402609-62-4 [RN]
18193-30-1 [RN]
3H-Phenoxazin-3-one, 7-amino-2,8-bis(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl- [ACD/Index Name]
7-Amino-2,8-bis(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl-3H-phenoxazin-3-on [German] [ACD/IUPAC Name]
7-Amino-2,8-bis(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl-3H-phenoxazin-3-one [ACD/IUPAC Name]
7-Amino-2,8-bis(2,4-dihydroxy-6-méthylphényl)-1,9-diméthyl-3H-phénoxazin-3-one [French] [ACD/IUPAC Name]
Stereoisomer of 7-amino-2,8-bis(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl-3H-phenoxazin-3-one
β-aminoorcein
β-AMINOORCEIN
γ-Aminoorcein
More...

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

6HMU816L69 [DBID]
NO4O5214JY [DBID]
UNII:6HMU816L69 [DBID]
UNII:NO4O5214JY [DBID]
UNII-NO4O5214JY [DBID]
  • Miscellaneous
    • Chemical Class:

      A member of the class of phenoxazines that is 1,9-dimethyl-3<element>H</element>-phenoxazin-3-one carrying an additional amino substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl sub stituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are both on the same side of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. ChEBI CHEBI:90311, CHEBI:90312
      A member of the class of phenoxazines that is 1,9-dimethyl-3<element>H</element>-phenoxazin-3-one carrying an additional amino substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl sub stituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are situated on opposite sides of the plane of the phenoxazine ring system. A compone nt of orcein, a mixture of dyes isolated from lichens. ChEBI CHEBI:90311, CHEBI:90312

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 748.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 406.4±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 128.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 623.46
ACD/KOC (pH 5.5): 3466.61
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 564.53
ACD/KOC (pH 7.4): 3138.95
Polar Surface Area: 146 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 331.1±7.0 cm3

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