N-Methyldibutylamine - ≥97% , CAS No.3405-45-6

CAS: 3405-45-6 Cat. No.: N494461 Molecular Weight: 143.27 EC Number: 222-288-9

GRADE & PURITY ≥97%

Synonyms

N-Methyldibutylamine|3405-45-6|N-Methyldi-n-butylamine|Dibutylmethylamine|N-butyl-N-methylbutan-1-amine|1-Butanamine, N-butyl-N-methyl-|N,N-Dibutylmethylamine|DIBUTYLAMINE, N-METHYL-|n,n-dibutyl-n-methylamine|N,N-di-n-Butylmethylamine|9W8CZX75SP|N-Butyl-N

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

N-Methyldibutylamine | 3405-45-6 | N-Methyldi-n-butylamine | Dibutylmethylamine | N-butyl-N-methylbutan-1-amine | 1-Butanamine, N-butyl-N-methyl- | N, N-Dibutylmethylamine | DIBUTYLAMINE, N-METHYL- | n, n-dibutyl-n-methylamine | N, N-di-n-Butylmethylamine | 9W8CZX75SP | N-Butyl-N

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504752912
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752912
• Canonical Smiles: 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
• Isomeric SMILES: CCCCN(C)CCCC
• WGK Germany: 3
• RTECS: HR8225000
• UN Number: 2734
• Packing Group: II
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.4178
• Flash Point(°F): 107.6 °F
• Flash Point(°C): 42 °C
• Boil Point(°C): 49-51 °C/10 mmHg
• Molecular Weight: 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

References

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]