2-Methyl-9-acridinecarboxaldehyde - ≥97% , CAS No.70401-29-5

CAS: 70401-29-5 Cat. No.: M293082 Peso molecular: 221.25 Número EC: 274-594-7

GRADE & PURITY ≥97%

Synonyms

2-Methylacridine-9-carbaldehyde|70401-29-5|2-methyl-9-acridinecarbaldehyde|2-Methyl-9-acridinecarboxaldehyde|EINECS 274-594-7|2-methylacridine-9-aldehyde|BIDD:GT0724|CHEMBL106277|SCHEMBL5852389|DTXSID50990609|AKOS015912453|2-Methyl-9-acridinecarboxaldehyd

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-Methylacridine-9-carbaldehyde | 70401-29-5 | 2-methyl-9-acridinecarbaldehyde | 2-Methyl-9-acridinecarboxaldehyde | EINECS 274-594-7 | 2-methylacridine-9-aldehyde | BIDD:GT0724 | CHEMBL106277 | SCHEMBL5852389 | DTXSID50990609 | AKOS015912453 | 2-Methyl-9-acridinecarboxaldehyd

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

• Sonrisas canónicas: CC1=CC2=C(C3=CC=CC=C3N=C2C=C1)C=O
• IUPAC Name: 2-methylacridine-9-carbaldehyde
• InChIKey: PIBZGMVFXCKDER-UHFFFAOYSA-N
• INCHI: 1S/C15H11NO/c1-10-6-7-15-12(8-10)13(9-17)11-4-2-3-5-14(11)16-15/h2-9H,1H3
• Isómeros SMILES: CC1=CC2=C(C3=CC=CC=C3N=C2C=C1)C=O
• WGK Alemania: 3
• Peso molecular: 221.25
• Reaxy-Rn: 158575
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=158575&ln=

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: Pyridine carboxaldehydes Aryl-aldehydes Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - 4-pyridine carboxaldehyde - Aryl-aldehyde - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aldehyde - 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 221.250 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 221.084 Da
• Monoisotopic Mass: 221.084 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 291.000
• 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