Dibutylamine - ≥99.5% , CAS No.111-92-2

CAS: 111-92-2 Cat. No.: D431482 Fórmula: C₈H₁₉N Peso molecular: 129.25 Beilstein Registry Number: 4157 Número EC: 203-921-8

GRADE & PURITY ≥99.5%

Synonyms

F2190-0305 | NCGC00257972-01 | di-1-butylamine | AKOS000118844 | AI3-15329 | D0218 | STR01268 | STK380649 | InChI=1/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H | CAS-111-92-2 | DTXSID7024952 | BBL002913 | dibutyl amine | di-n-butyl amine | (n-C4H9)2NH | EC 2

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Descripción general

Application

Dibutylamine can be used as a reactant to synthesize:N, N-Dibutyl-4-methylaniline by Pd-catalyzed Buchwald-Hartwig amination reaction with aryl chlorides and bromides.N,N-Dibutylacetamide by acetylation reaction with isopropenyl acetate.It can also be used as:A strong hindered base in the different elimination reactions.An organocatalyst to synthesize annulated pyrano[2,3-d]pyrimidine derivatives via multicomponent condensation reaction of aromatic aldehydes, malononitrile, and barbituric acid

Specifications

Sinónimos

F2190-0305 | NCGC00257972-01 | di-1-butylamine | AKOS000118844 | AI3-15329 | D0218 | STR01268 | STK380649 | InChI=1/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H | CAS-111-92-2 | DTXSID7024952 | BBL002913 | dibutyl amine | di-n-butyl amine | (n-C4H9)2NH | EC 2

Especificaciones y pureza

≥99.5%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

FedEx DG Service

Pureza

≥99.5%

Nombres e identificadores

Pubchem Sid

504751605

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751605

Sonrisas canónicas

CCCCNCCCC

IUPAC Name

N-butylbutan-1-amine

InChIKey

JQVDAXLFBXTEQA-UHFFFAOYSA-N

INCHI

1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3

Isómeros SMILES

CCCCNCCCC

WGK Alemania

1

RTECS

HR7780000

Número ONU

2248

Grupo de embalaje

II

Peso molecular

129.25

Beilstein

4157

Reaxy-Rn

506001

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506001&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• 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: water: soluble 3.8g/L at20°C
• Sensibilidad: Heat sensitive;Air sensitive
• Índice de refracción: 1.4177
• Punto de inflamación (°C): 40 °C
• Punto de ebullición (°C): 159℃
• Punto de fusión (°C): −62 °C
• Peso molecular: 129.240 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 129.152 Da
• Monoisotopic Mass: 129.152 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 37.800
• 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