Tridodecylamine - ≥90% , CAS No.102-87-4

CAS: 102-87-4 Cat. No.: T141398 Molecular Weight: 521.99 Beilstein Registry Number: 1801669 EC Number: 203-063-4 PubChem CID: 7624

GRADE & PURITY ≥90%

Synonyms

MFCD00008971 | Hydrogen ionophore I, Selectophore(TM), function tested | N,N-didodecyldodecan-1-amine | Hydrogen ionophore I | N,N-Didodecyl-1-dodecanamine, 9CI | Tri-n-dodecylamine | N,N-Didodceyl-1-dodecanamine | Proton ionophore I | T3519 | Alamine 304

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD00008971 | Hydrogen ionophore I, Selectophore(TM), function tested | N, N-didodecyldodecan-1-amine | Hydrogen ionophore I | N, N-Didodecyl-1-dodecanamine, 9CI | Tri-n-dodecylamine | N, N-Didodceyl-1-dodecanamine | Proton ionophore I | T3519 | Alamine 304

Specifications & Purity

≥90%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
• IUPAC Name: N,N-didodecyldodecan-1-amine
• InChIKey: SWZDQOUHBYYPJD-UHFFFAOYSA-N
• INCHI: 1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
• Isomeric SMILES: CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
• WGK Germany: 2
• PubChem CID: 7624
• Molecular Weight: 521.99
• Beilstein: 1801669

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

• Solubility: Not miscible or difficult to mix with water.
• Sensitivity: Air sensitive
• Refractive Index: 1.4578
• Flash Point(°F): 113 °C
• Flash Point(°C): 113°C
• Boil Point(°C): 220-228 °C
• Melt Point(°C): 16℃
• Molecular Weight: 522.000 g/mol
• XLogP3: 17.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 33
• Exact Mass: 521.59 Da
• Monoisotopic Mass: 521.59 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 322.000
• 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

References

1. Wei Jia, Xin Wang.  (2023)  3-Chloropropane-1,2-diol exposure adversely influenced the bio-accessibility signatures of digested infant foods by suppressing the destabilization of α-lactalbumin and d-aspartate oxidase in a dose-dependent manner.  FOOD CHEMISTRY,      [PMID:37385056] [10.1016/j.foodchem.2023.136729]