N-Methyldibutylamine - ≥98% , CAS No.3405-45-6

CAS: 3405-45-6 Cat. No.: I169712 Peso molecular: 143.27 Número EC: 222-288-9

GRADE & PURITY ≥98%

Synonyms

FT-0629574 | N,N-di-n-Butylmethylamine | N-Methyldi-n-butylamine | Dibutylmethylamine | Methyldibutylamine | Methanamine, N,N-dibutyl- | MFCD00009430 | n,n-dibutyl-n-methylamine | N,N-dibutyl-methanamine | BRN 1733494 | EINECS 222-288-9 | J-019439 | E8379

Storage

Room temperature

Shipped In

Normal

Descripción general

N-Methyldibutylamine was used to identify a series of optimized mobile phase systems with 25 to 50mM hexafluoroisopropanol that yielded high MS signal intensity for both siRNA and DNA.

Specifications

Sinónimos

FT-0629574 | N, N-di-n-Butylmethylamine | N-Methyldi-n-butylamine | Dibutylmethylamine | Methyldibutylamine | Methanamine, N, N-dibutyl- | MFCD00009430 | n, n-dibutyl-n-methylamine | N, N-dibutyl-methanamine | BRN 1733494 | EINECS 222-288-9 | J-019439 | E8379

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488182512
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182512
• Sonrisas canónicas: CCCCN(C)CCCC
• IUPAC Name: N-butyl-N-methylbutan-1-amine
• InChIKey: MTHFROHDIWGWFD-UHFFFAOYSA-N
• INCHI: 1S/C9H21N/c1-4-6-8-10(3)9-7-5-2/h4-9H2,1-3H3
• Isómeros SMILES: CCCCN(C)CCCC
• WGK Alemania: 3
• RTECS: HR8225000
• Número ONU: 2734
• Grupo de embalaje: II
• Peso molecular: 143.27
• Reaxy-Rn: 1733494
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733494&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three 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

• Índice de refracción: 1.4178
• Punto de inflamación (°F): 107.6 °F
• Punto de inflamación (°C): 42 °C
• Punto de ebullición (°C): 49-51 °C/10 mmHg
• Peso molecular: 143.270 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 143.167 Da
• Monoisotopic Mass: 143.167 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 53.700
• 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

Referencias

1. Tao Wang, Jie Li, Hanwen Yan, Guoliang Zhang, Shifeng Li.  (2023)  Mechanism and Kinetic Study on Synthesis of Methacrolein Catalyzed by Amine/Acid.  Catalysts,  13  (5): (799).  [PMID:] [10.3390/catal13050799]