N-Hexadecylpropane-1,3-diamine

Base Information

• Chemical Name: N-Hexadecylpropane-1,3-diamine
• CAS No.: 7173-60-6
• Molecular Formula: C19H42N2
• Molecular Weight: 298.556
• Hs Code.: 2921290000
• European Community (EC) Number: 230-527-3
• NSC Number: 158578
• UNII: 59JTB7416J
• DSSTox Substance ID: DTXSID20221952
• Nikkaji Number: J227.423J
• Wikidata: Q27261703
• Mol file: 7173-60-6.mol

Synonyms:N-Hexadecylpropane-1,3-diamine;7173-60-6;N1-Hexadecyl-1,3-propanediamine;Cetylaminopropylamine;N'-hexadecylpropane-1,3-diamine;1,3-Propanediamine,N1-hexadecyl-;UNII-59JTB7416J;n-hexadecyl-1,3-propanediamine;59JTB7416J;1,3-Propanediamine, N-hexadecyl-;EINECS 230-527-3;N-HEXADECYLTRIMETHYLENEDIAMINE;NSC-158578;(3-aminopropyl)(hexadecyl)amine;C19H42N2;NSC158578;DICRODAMINE 1.16;SCHEMBL962833;n-hexadecyl-1,3-diaminopropane;DTXSID20221952;n-hexadecyl-1,3-propylenediamine;N-HEXADECYLPROPYLENEDIAMINE;N-1-hexadecyl-1,3-propanediamine;N-PALMITYLTRIMETHYLENEDIAMINE;AKOS005289606;N-PALMITYL-1,3-PROPANEDIAMINE;NSC 158578;1,3-PROPANEDIAMINE, N1-HEXADECYL-;J227.423J;N(1)-HEXADECYL-1,3-PROPANEDIAMINE;Q27261703

Chemical Property of N-Hexadecylpropane-1,3-diamine

Chemical Property:

• Vapor Pressure: 4.23E-06mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 384 °C at 760 mmHg
• PKA: 10.67±0.19(Predicted)
• Flash Point: 219.5 °C
• PSA: 38.05000
• Density: 0.841 g/cm³
• LogP: 6.49730
• XLogP3: 7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 298.334799348
• Heavy Atom Count: 21
• Complexity: 171

Purity/Quality:

98%min ^*data from raw suppliers

N1-Hexadecyl-1,3-propanediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCNCCCN

Technology Process of N-Hexadecylpropane-1,3-diamine

There total 3 articles about N-Hexadecylpropane-1,3-diamine 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:

N-hexadecyl-β-alanine nitrile (36341-65-8) → N-hexadecyl-propanediyldiamine (7173-60-6)

Guidance literature:

With ethanol; nickel; at 90 ℃; under 14710.2 Torr; Hydrogenation;

Reference yield:

Trimethylenediamine (109-76-2,54018-94-9) + hexadecanyl bromide (112-82-3) → N-hexadecyl-propanediyldiamine (7173-60-6)

Guidance literature:

DOI:10.1021/ja01534a057

Reference yield:

hexadecylamine (143-27-1) → N-hexadecyl-propanediyldiamine (7173-60-6)

Guidance literature:

Multi-step reaction with 2 steps

2: Raney nickel; ethanol / 90 °C / 14710.2 Torr / Hydrogenation

With ethanol; nickel;

upstream raw materials:

N-hexadecyl-β-alanine nitrile

Trimethylenediamine

hexadecanyl bromide

hexadecylamine