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

CAS: 112-18-5 Cat. No.: N159397 Molecular Weight: 213.41 Beilstein Registry Number: 1700190 EC Number: 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

Overview

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

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

Specifications & Purity

≥96%(GC)(T)

Storage

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

Shipped In

Normal

Purity

≥96%(GC)(T)

Names and Identifiers

• Pubchem Sid: 504751611
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751611
• Canonical Smiles: 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
• Isomeric SMILES: CCCCCCCCCCCCN(C)C
• WGK Germany: 2
• RTECS: JR6600000
• UN Number: 2735
• Packing Group: I
• Molecular Weight: 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
    • 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

Associated Targets(Human)

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

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Sensitivity: Moisture sensitive；Air sensitive
• Refractive Index: 1.43
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 149 ℃
• Melt Point(°C): -20 °C
• Molecular Weight: 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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