N-Dodecylpropane-1,3-diamine

Base Information

• Chemical Name: N-Dodecylpropane-1,3-diamine
• CAS No.: 5538-95-4
• Deprecated CAS: 52907-39-8
• Molecular Formula: C15H34N2
• Molecular Weight: 242.448
• Hs Code.: 29212900
• European Community (EC) Number: 226-902-6
• NSC Number: 40165,30892
• UNII: KD5RK5I4VZ
• DSSTox Substance ID: DTXSID9048061
• Nikkaji Number: J210.585C
• Wikidata: Q27282190
• ChEMBL ID: CHEMBL3760028
• Mol file: 5538-95-4.mol

Synonyms:5538-95-4;N1-Dodecylpropane-1,3-diamine;N-Dodecylpropane-1,3-diamine;Laurylamino propylamine;lauraminopropylamine;N'-dodecylpropane-1,3-diamine;N-Lauryltrimethylenediamine;N-Dodecyl-1,3-propanediamine;1,3-Propanediamine, N-dodecyl-;Laurylaminopropylamine;N-Lauryl-1,3-propanediamine;N-(3-Aminopropyl)dodecylamine;Diam 21;N-Dodecyl propane diamine;N-Dodecyltrimethylenediamine;N-Lauryl-1,3-diaminopropane;RC 5635;1,3-Propanediamine, N1-dodecyl-;UNII-KD5RK5I4VZ;KD5RK5I4VZ;EINECS 226-902-6;NSC 40165;NSC-40165;1, N-dodecyl-;NSC-28753;C15H34N2;RUBIDIUMPERCHLORATE;4-Azahexadecane-1-amine;3-aminopropyl dodecylamine;GENAMIN LAP 100;N-dodecylpropanediyl diamine;n-dodecyl-1,3-diaminopropane;SCHEMBL164498;N-dodecyl-1,3-propylenediamine;CHEMBL3760028;DTXSID9048061;N\'-dodecylpropane-1,3-diamine;3-(LAURYLAMINO)PROPYLAMINE;LAURAMINOPROPYLAMINE [INCI];N~1~-dodecyl-1,3-propanediamine;1,3-Propanediamine, N -dodecyl-;3-(DODECYLAMINO)PROPYLAMINE;NSC30892;NSC40165;MFCD00014828;NSC-30892;AKOS011556224;3-(DODECYLAMINO)-1-PROPANAMINE;AS-10578;N-DODECYL-1,3-TRIMETHYLENEDIAMINE;CS-0152182;FT-0655344;A51092;A830618;W-110046;Q27282190;3-[N-ethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]propanenitrile chloride

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

Chemical Property:

• Vapor Pressure: 0.000222mmHg at 25°C
• Melting Point: 24.5-25.5 °C
• Refractive Index: 1.457
• Boiling Point: 326 °C at 760 mmHg
• PKA: 10.67±0.19(Predicted)
• Flash Point: 176.7 °C
• PSA: 38.05000
• Density: 0.839 g/cm³
• LogP: 4.93690
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 242.272199093
• Heavy Atom Count: 17
• Complexity: 126

Purity/Quality:

95%, 99% ^*data from raw suppliers

N1-Dodecylpropane-1,3-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCNCCCN

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

There total 6 articles about N-Dodecylpropane-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: 94.0%

Trimethylenediamine (109-76-2,54018-94-9) + 1-chlorododecane (112-52-7) → N-(1-dodecyl)-1,3-propanediamine (5538-95-4)

Guidance literature:

In ethanol; for 24h; Reflux;

DOI:10.1016/j.ejmech.2015.11.037

Reference yield:

N-(2-cyanoethyl)dodecylamine (4763-40-0) → N-(1-dodecyl)-1,3-propanediamine (5538-95-4)

Guidance literature:

With ammonia; nickel; at 130 ℃; under 73550.8 Torr; Hydrogenation;

DOI:10.1021/jo01147a009

Reference yield:

N-(2-cyanoethyl)dodecylamine (4763-40-0) → N-(1-dodecyl)-1,3-propanediamine (5538-95-4) + bis-(3-dodecylamino-propyl)-amine (57413-96-4)

Guidance literature:

With nickel; Hydrogenation;

DOI:10.1021/jo01147a009

upstream raw materials:

N-(2-cyanoethyl)dodecylamine

Trimethylenediamine

1-chlorododecane

n-Dodecylamine

Downstream raw materials:

N-Cyclohexyl-N'-dodecyl-1,3-propanediamine

Refernces

• 1、 Rigo, Graziela Vargas,Trein, Márcia Rodrigues,da Silva Trentin, Danielle,Macedo, Alexandre José,de Oliveira, Bruno Assis,de Almeida, Angelina Maria,Giordani, Raquel Brandt,de Almeida, Mauro Vieira,Tasca, Tiana. "Diamine derivative anti-Trichomonas vaginalis and anti-Tritrichomonas foetus activities by effect on polyamine metabolism". . p. 847 - 855. Retrieved 2017/09/13.
• 2、 de Almeida, Mauro V.,Saraiva, Mauricio F.,de Souza, Marcus V.N.,da Costa, Cristiane F.,Vicente, Felipe R.C.,Lourenco, Maria C.S.. "Synthesis and antitubercular activity of lipophilic moxifloxacin and gatifloxacin derivatives". . p. 5661 - 5664. Retrieved 2008/03/14.