N-Decylpropane-1,3-diamine

Base Information

• Chemical Name: N-Decylpropane-1,3-diamine
• CAS No.: 5538-99-8
• Molecular Formula: C13H30 N2
• Molecular Weight: 214.395
• Hs Code.: 2921290000
• European Community (EC) Number: 226-903-1
• UNII: L02S92E4U2
• DSSTox Substance ID: DTXSID70203925
• Nikkaji Number: J225.007A
• Wikidata: Q27282530
• ChEMBL ID: CHEMBL3759021
• Mol file: 5538-99-8.mol

Synonyms:N-Decylpropane-1,3-diamine;n-decyl-1,3-propanediamine;5538-99-8;N'-decylpropane-1,3-diamine;EINECS 226-903-1;UNII-L02S92E4U2;1,3-Propanediamine, N-decyl-;L02S92E4U2;N-decyl-1,3-diaminopropane;SCHEMBL166285;CHEMBL3759021;N-DECYLTRIMETHYLENEDIAMINE;3-(DECYLAMINO)PROPYLAMINE;DTXSID70203925;AKOS011556221;1,3-PROPANEDIAMINE, N1-DECYL-;J225.007A;Q27282530

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

Chemical Property:

• Vapor Pressure: 0.00143mmHg at 25°C
• Boiling Point: 296.5°C at 760 mmHg
• PKA: 10.69±0.19(Predicted)
• Flash Point: 154.9°C
• PSA: 38.05000
• Density: 0.838g/cm³
• LogP: 4.15670
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 214.240898965
• Heavy Atom Count: 15
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCNCCCN

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

There total 4 articles about N-Decylpropane-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: 58.0%

decyl chloride (1002-69-3) + Trimethylenediamine (109-76-2,54018-94-9) → N-decyl-propanediyldiamine (5538-99-8)

Guidance literature:

In ethanol; for 24h; Reflux;

DOI:10.1016/j.ejmech.2015.11.037

Reference yield:

N-decyl-β-alanine nitrile (71708-88-8) → N-decyl-propanediyldiamine (5538-99-8)

Guidance literature:

With ethanol; nickel; at 95 ℃; under 14710.2 Torr; Hydrogenation;

Reference yield:

1-bromo dodecane (112-29-8) + Trimethylenediamine (109-76-2,54018-94-9) → N-decyl-propanediyldiamine (5538-99-8)

Guidance literature:

DOI:10.1021/ja01534a057

upstream raw materials:

N-decyl-β-alanine nitrile

1-bromo dodecane

Trimethylenediamine

decyl chloride