Anilinoacetaldehyde diethyl acetal - ≥97% , CAS No.22758-34-5

CAS: 22758-34-5 Cat. No.: A354432 Peso molecular: 209.28 Número EC: 681-854-7

GRADE & PURITY ≥97%

Synonyms

N-(2,2-Diethoxyethyl)aniline | DTXSID20334213 | N-(2,2-Diethoxyethyl)aniline # | FT-0622398 | SB78651 | 1,2-DI-1,1-BIPHENYL-4-YLETHANE-1,2-DIONE | N-(2,2-diethoxyethyl)benzenamine | SCHEMBL935506 | A816339 | EN300-137579 | Anilinoacetaldehyde diethyl acet

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

N-(2, 2-Diethoxyethyl)aniline | DTXSID20334213 | N-(2, 2-Diethoxyethyl)aniline # | FT-0622398 | SB78651 | 1, 2-DI-1, 1-BIPHENYL-4-YLETHANE-1, 2-DIONE | N-(2, 2-diethoxyethyl)benzenamine | SCHEMBL935506 | A816339 | EN300-137579 | Anilinoacetaldehyde diethyl acet

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

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: 504759048
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759048
• Sonrisas canónicas: CCOC(CNC1=CC=CC=C1)OCC
• IUPAC Name: N-(2,2-diethoxyethyl)aniline
• InChIKey: DHGUGEBXVGPRRD-UHFFFAOYSA-N
• INCHI: 1S/C12H19NO2/c1-3-14-12(15-4-2)10-13-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
• Isómeros SMILES: CCOC(CNC1=CC=CC=C1)OCC
• Peso molecular: 209.28
• Reaxy-Rn: 2806325
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2806325&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Acetal - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl 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

• Sensibilidad: light sensitive
• Punto de inflamación (°F): 131.7±14.6°C
• Punto de ebullición (°C): 153-154°/12mm
• Peso molecular: 209.280 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 209.142 Da
• Monoisotopic Mass: 209.142 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 141.000
• 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