1,2,3,4-Tetrahydroacridine-9-carboxylic acid - ≥97% , CAS No.38186-54-8

CAS: 38186-54-8 Cat. No.: T170038 Peso molecular: 227.265 Número EC: 684-513-0 PubChem CID: 96891

GRADE & PURITY ≥97%

Synonyms

NCGC00186420-02 | A873905 | AKOS000266207 | BB 0217716 | NCGC00186420-01 | NSC-631613 | AMINO 2,4,6-TRIMETHYLBENZENE-1-SULFONATE | Cambridge id 5182245 | DTXSID30191571 | AB00074973-01 | NSC 91887 | SR-01000409731 | SR-01000409731-1 | 9-CARBOXY-1,2,3,4-TE

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

NCGC00186420-02 | A873905 | AKOS000266207 | BB 0217716 | NCGC00186420-01 | NSC-631613 | AMINO 2, 4, 6-TRIMETHYLBENZENE-1-SULFONATE | Cambridge id 5182245 | DTXSID30191571 | AB00074973-01 | NSC 91887 | SR-01000409731 | SR-01000409731-1 | 9-CARBOXY-1, 2, 3, 4-TE

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504756344
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756344
• Sonrisas canónicas: C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)O
• IUPAC Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid
• InChIKey: JYVPWMIZRISTEH-UHFFFAOYSA-N
• INCHI: 1S/C14H13NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H,16,17)
• Isómeros SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)O
• CAS alternativo: 207738-04-3
• PubChem CID: 96891
• Peso molecular: 227.265

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: Quinoline carboxylic acids Pyridinecarboxylic acids Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - Quinoline-4-carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
• 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

• Peso molecular: 227.260 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 227.095 Da
• Monoisotopic Mass: 227.095 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 305.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1