N-Methyldodecanamide - ≥98%(GC) , CAS No.27563-67-3

CAS: 27563-67-3 Cat. No.: N159399 Formule: C₁₃H₂₇NO Poids moléculaire: 213.37

GRADE & PURITY ≥98%(GC)

Synonyms

N-Methyldodecanamide | AKOS009158966 | CBA56367 | AS-57955 | APWSJINSLHHRPD-UHFFFAOYSA-N | N-Methyl dodecanamide | SCHEMBL2905304 | DTXSID00181964 | N-Dodecanoylmethylamine | MFCD00051780 | D91599 | Q63391902 | N-Methyllauramide | N-Lauroylmethylamine | M

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

N-Methyldodecanamide | AKOS009158966 | CBA56367 | AS-57955 | APWSJINSLHHRPD-UHFFFAOYSA-N | N-Methyl dodecanamide | SCHEMBL2905304 | DTXSID00181964 | N-Dodecanoylmethylamine | MFCD00051780 | D91599 | Q63391902 | N-Methyllauramide | N-Lauroylmethylamine | M

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488188115

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188115

Sourires canoniques

CCCCCCCCCCCC(=O)NC

IUPAC Name

N-methyldodecanamide

InChIKey

APWSJINSLHHRPD-UHFFFAOYSA-N

INCHI

1S/C13H27NO/c1-3-4-5-6-7-8-9-10-11-12-13(15)14-2/h3-12H2,1-2H3,(H,14,15)

Isomères SMILES

CCCCCCCCCCCC(=O)NC

Poids moléculaire

213.37

Reaxy-Rn

1767782

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1767782&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acyl amines
• Alternative Parents: Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 68-72°C
• Poids moléculaire: 213.360 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 213.209 Da
• Monoisotopic Mass: 213.209 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 145.000
• 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