N,N-Dimethyldodecylamine - ≥96%(GC)(T) , CAS No.112-18-5

CAS: 112-18-5 Cat. No.: N159397 Peso molecular: 213.41 Beilstein Registry Number: 1700190 Número EC: 203-943-8

GRADE & PURITY ≥96%(GC)(T)

Synonyms

DDA | AKOS005720939 | BBL011370 | Dimethyl-n-dodecylamine | 1,1-Dimethyl-aminododecane | ADMA 2 | NSC-7332 | DDA (antioxidant) | Genamin LA 302D | 6V2OM30I1Z | Barlene 125 | N,N-DIMETHYL-1-DODECANAMINE | N,N-dimethyldodecan-1-amine | dodecyldimethyl amine

Storage

Protected from light,Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Descripción general

It has been used: . as a capping agent during the synthesis of Au(core)-Pd(shell) bimetallic nanoparticles in toluene . in the synthesis of N-alkyl-N,N-dimethyl-1-ammonio-2-hydroxy-3-propane sulfonate . in the preparation of novel bis-quaternary ammonium salt, via reaction with epichlorohydrin (in the presence of the amine hydrochloride) or various dichloro compounds.

Specifications

Sinónimos

DDA | AKOS005720939 | BBL011370 | Dimethyl-n-dodecylamine | 1, 1-Dimethyl-aminododecane | ADMA 2 | NSC-7332 | DDA (antioxidant) | Genamin LA 302D | 6V2OM30I1Z | Barlene 125 | N, N-DIMETHYL-1-DODECANAMINE | N, N-dimethyldodecan-1-amine | dodecyldimethyl amine

Especificaciones y pureza

≥96%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Pureza

≥96%(GC)(T)

Nombres e identificadores

• Pubchem Sid: 504751611
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751611
• Sonrisas canónicas: CCCCCCCCCCCCN(C)C
• IUPAC Name: N,N-dimethyldodecan-1-amine
• InChIKey: YWFWDNVOPHGWMX-UHFFFAOYSA-N
• INCHI: 1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3
• Isómeros SMILES: CCCCCCCCCCCCN(C)C
• WGK Alemania: 2
• RTECS: JR6600000
• Número ONU: 2735
• Grupo de embalaje: I
• Peso molecular: 213.41
• Beilstein: 1700190
• Reaxy-Rn: 1700191
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700191&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

Objetivos asociados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DNM1 Tbio Dynamin-1 (215 Activities)

Discover Target: DNM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Moisture sensitive；Air sensitive
• Índice de refracción: 1.43
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 149 ℃
• Punto de fusión (°C): -20 °C
• Peso molecular: 213.400 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 213.246 Da
• Monoisotopic Mass: 213.246 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 110.000
• 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

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