Hexahydro-1,3,5-trioctyl-1,3,5-triazine

Base Information

• Chemical Name: Hexahydro-1,3,5-trioctyl-1,3,5-triazine
• CAS No.: 94279-01-3
• Molecular Formula: C27H57 N3
• Molecular Weight: 423.77
• Hs Code.: 2933699090
• European Community (EC) Number: 304-746-0
• DSSTox Substance ID: DTXSID10915752
• Nikkaji Number: J326.415G
• Wikidata: Q82886794
• Mol file: 94279-01-3.mol

Synonyms:94279-01-3;1,3,5-trioctyl-1,3,5-triazinane;EINECS 304-746-0;Hexahydro-1,3,5-trioctyl-1,3,5-triazine;1,3,5-Triazine,hexahydro-1,3,5-trioctyl-;SCHEMBL5351618;DTXSID10915752;NS00065608

Chemical Property of Hexahydro-1,3,5-trioctyl-1,3,5-triazine

Chemical Property:

• Vapor Pressure: 8.49E-10mmHg at 25°C
• Boiling Point: 491.3°Cat760mmHg
• PKA: 6.76±0.20(Predicted)
• Flash Point: 212.9°C
• PSA: 9.72000
• Density: 0.865g/cm³
• LogP: 7.67370
• XLogP3: 10.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 21
• Exact Mass: 423.45524883
• Heavy Atom Count: 30
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN1CN(CN(C1)CCCCCCCC)CCCCCCCC

Technology Process of Hexahydro-1,3,5-trioctyl-1,3,5-triazine

There total 3 articles about Hexahydro-1,3,5-trioctyl-1,3,5-triazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

n-Octylamine (111-86-4) → 1,3,5-trioctyl-hexahydro-sym-triazine (94279-01-3)

Guidance literature:

With formaldehyd; In toluene; at 0 ℃; Heating / reflux;

Reference yield: 83.0%

→ 1,3,5-trioctyl-hexahydro-sym-triazine (94279-01-3)

Guidance literature:

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + n-Octylamine (111-86-4) → 1,3,5-trioctyl-hexahydro-sym-triazine (94279-01-3)

Guidance literature:

With methanol; water;

DOI:10.1021/ja01599a038

upstream raw materials:

formaldehyd

n-Octylamine

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