4-[N,N-Bis(2-hydroxyethyl)amino]benzaldehyde - ≥97% , CAS No.27913-86-6

CAS: 27913-86-6 Cat. No.: I169230 Peso molecular: 209.24 Número EC: 627-970-3

GRADE & PURITY ≥97%

Synonyms

4-(bis-(2-hydroxyethyl)amino)-benzaldehyde | 4-(Bis(2-hydroxyethyl)amino)benzaldehyde | SY041246 | 4-[Bis-(2-hydroxyethyl)amino]benzaldehyde | 4-[Bis-(2-hydroxy-ethyl)-amino]-benzaldehyde | 4-[bis(2-hydroxyethyl)amino]benzaldehyde | 4-[bis(2-hydroxyethyl)

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Application

4-[N,N-Bis(2-hydroxyethyl)amino]benzaldehyde is an amine substituted benzaldehyde derivative

Specifications

Sinónimos

4-(bis-(2-hydroxyethyl)amino)-benzaldehyde | 4-(Bis(2-hydroxyethyl)amino)benzaldehyde | SY041246 | 4-[Bis-(2-hydroxyethyl)amino]benzaldehyde | 4-[Bis-(2-hydroxy-ethyl)-amino]-benzaldehyde | 4-[bis(2-hydroxyethyl)amino]benzaldehyde | 4-[bis(2-hydroxyethyl)

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: 488198263
• Sonrisas canónicas: C1=CC(=CC=C1C=O)N(CCO)CCO
• IUPAC Name: 4-[bis(2-hydroxyethyl)amino]benzaldehyde
• InChIKey: YSDDPNWGLSGZRC-UHFFFAOYSA-N
• INCHI: 1S/C11H15NO3/c13-7-5-12(6-8-14)11-3-1-10(9-15)2-4-11/h1-4,9,13-14H,5-8H2
• Isómeros SMILES: C1=CC(=CC=C1C=O)N(CCO)CCO
• WGK Alemania: 3
• Peso molecular: 209.24
• Reaxy-Rn: 4681686
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4681686&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 1,2-aminoalcohols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl-aldehyde - 1,2-aminoalcohol - Tertiary amine - Alkanolamine - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aldehyde - Alcohol - 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

• Solubilidad: Soluble in water (slightly)
• Índice de refracción: n20D 1.63 (Predicted)
• Punto de ebullición (°C): 433.42° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 55-62° C (lit.)
• Peso molecular: 209.240 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 209.105 Da
• Monoisotopic Mass: 209.105 Da
• Topological Polar Surface Area: 60.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 173.000
• 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