Phenolphthalein monophosphate bis(cyclohexylammonium) salt - ≥85% , CAS No.14815-59-9

CAS: 14815-59-9 Cat. No.: P167395 Peso molecular: 596.65 Número EC: 238-884-7 PubChem CID: 45489981

GRADE & PURITY ≥85%

Synonyms

TD8149 | Cyclohexanaminium 4-(1-(4-hydroxyphenyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl)phenyl phosphate | PHENOLPHTHALEIN MONOPHOSPHATE DI(CYCLOHEXYLAMMONIUM) SALT | PHENOLPHTHALEIN MONOPHOSPHATE, BIS(CYCLOHEXYLAMMONIUM) SALT | AKOS016010456 | Cyclohexanam

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Phenolphthalein monophosphate dicyclohexylammonium is a substrate for alkaline phosphatase and is used as an indicator in various titrations and enzyme immunoassays.

Specifications

Sinónimos

TD8149 | Cyclohexanaminium 4-(1-(4-hydroxyphenyl)-3-oxo-1, 3-dihydroisobenzofuran-1-yl)phenyl phosphate | PHENOLPHTHALEIN MONOPHOSPHATE DI(CYCLOHEXYLAMMONIUM) SALT | PHENOLPHTHALEIN MONOPHOSPHATE, BIS(CYCLOHEXYLAMMONIUM) SALT | AKOS016010456 | Cyclohexanam

Especificaciones y pureza

≥85%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥85%

Nombres e identificadores

• Sonrisas canónicas: C1CCC(CC1)[NH3+].C1CCC(CC1)[NH3+].C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)([O-])[O-]
• IUPAC Name: cyclohexylazanium;[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] phosphate
• InChIKey: HANAZWFQWVNYKU-UHFFFAOYSA-N
• INCHI: 1S/C20H15O7P.2C6H13N/c21-15-9-5-13(6-10-15)20(18-4-2-1-3-17(18)19(22)26-20)14-7-11-16(12-8-14)27-28(23,24)25;2*7-6-4-2-1-3-5-6/h1-12,21H,(H2,23,24,25);2*6H,1-5,7H2
• Isómeros SMILES: C1CCC(CC1)[NH3+].C1CCC(CC1)[NH3+].C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)([O-])[O-]
• PubChem CID: 45489981
• Peso molecular: 596.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphomonoesters
            • Level7 Phenyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates - Aryl phosphomonoesters
• Direct Parent: Phenyl phosphates
• Alternative Parents: Phthalides Benzofuranones Phenoxy compounds Cyclohexylamines 1-hydroxy-2-unsubstituted benzenoids Quaternary ammonium salts Lactones Carboxylic acid esters Oxacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Phenyl phosphate - Benzofuranone - Phthalide - Isobenzofuranone - Isocoumaran - Phenoxy compound - Cyclohexylamine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Quaternary ammonium salt - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: methanol: 10 mg/mL, clear to very slightly hazy, colorless
• Peso molecular: 596.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 596.265 Da
• Monoisotopic Mass: 596.265 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 653.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3