3-(Dimetilamino)benzaldehído - ≥97% , CAS No.619-22-7

CAS: 619-22-7 Cat. No.: D194228 Peso molecular: 149.19 Número EC: 976-608-3

GRADE & PURITY ≥97%

Synonyms

DTXSID40275093 | MFCD05148649 | F16876 | EN300-221463 | WUJQTKBVPNTQLU-UHFFFAOYSA-N | m-dimethylaminobenzaldehyde | InChI=1/C9H11NO/c1-10(2)9-5-3-4-8(6-9)7-11/h3-7H,1-2H | A833485 | AKOS005266424 | SCHEMBL1039994 | 3-(dimethylamino)benzaldehyde | AMY28511

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

DTXSID40275093 | MFCD05148649 | F16876 | EN300-221463 | WUJQTKBVPNTQLU-UHFFFAOYSA-N | m-dimethylaminobenzaldehyde | InChI=1/C9H11NO/c1-10(2)9-5-3-4-8(6-9)7-11/h3-7H, 1-2H | A833485 | AKOS005266424 | SCHEMBL1039994 | 3-(dimethylamino)benzaldehyde | AMY28511

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CN(C)C1=CC=CC(=C1)C=O
• IUPAC Name: 3-(dimethylamino)benzaldehyde
• InChIKey: WUJQTKBVPNTQLU-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO/c1-10(2)9-5-3-4-8(6-9)7-11/h3-7H,1-2H3
• Isómeros SMILES: CN(C)C1=CC=CC(=C1)C=O
• Peso molecular: 149.19
• Reaxy-Rn: 2081236
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2081236&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Dialkylarylamines Benzaldehydes Aniline and substituted anilines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aryl-aldehyde - Tertiary amine - Organic oxide - Aldehyde - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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: 149.190 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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