3-(Dodecylamino)propanenitrile

Base Information

• Chemical Name: 3-(Dodecylamino)propanenitrile
• CAS No.: 4763-40-0
• Molecular Formula: C15H30N2
• Molecular Weight: 238.417
• Hs Code.: 2926909090
• European Community (EC) Number: 225-302-1
• NSC Number: 40168
• UNII: HKX5XM4J7G
• DSSTox Substance ID: DTXSID00197227
• Nikkaji Number: J262.440K
• Wikidata: Q83070162
• Mol file: 4763-40-0.mol

Synonyms:3-(Dodecylamino)propionitrile;4763-40-0;3-(Dodecylamino)propanenitrile;3-(Dodecylamino)propiononitrile;Propanenitrile, 3-(dodecylamino)-;HKX5XM4J7G;EINECS 225-302-1;NSC-40168;EC 225-302-1;NSC40168;UNII-HKX5XM4J7G;SCHEMBL9551934;3-(Dodecylamino)propanenitrile #;DTXSID00197227;Propionitrile, 3-(dodecylamino)-;MFCD00060312;NSC 40168;AKOS015839871;FT-0676310

Chemical Property of 3-(Dodecylamino)propanenitrile

Chemical Property:

• Vapor Pressure: 3.03E-05mmHg at 25°C
• Refractive Index: 1.451
• Boiling Point: 355.9 °C at 760 mmHg
• Flash Point: 169 °C
• PSA: 35.82000
• Density: 0.856 g/cm³
• LogP: 4.80148
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 238.240898965
• Heavy Atom Count: 17
• Complexity: 181

Purity/Quality:

99.9% ^*data from raw suppliers

3-(Dodecylamino)propionitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCNCCC#N

Technology Process of 3-(Dodecylamino)propanenitrile

There total 3 articles about 3-(Dodecylamino)propanenitrile 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-Dodecylamine (124-22-1) + acrylonitrile (107-13-1,25014-41-9) → N-(2-cyanoethyl)dodecylamine (4763-40-0)

Guidance literature:

for 6h; Heating;

DOI:10.1246/bcsj.61.2773

Reference yield:

n-Dodecylamine (124-22-1) + acrylonitrile (107-13-1,25014-41-9) → N-dodecyl-2,2'-iminodipropionitrile (1555-62-0) + N-(2-cyanoethyl)dodecylamine (4763-40-0)

Guidance literature:

at 210 ℃;

Reference yield:

→ N-(2-cyanoethyl)dodecylamine (4763-40-0)

Guidance literature:

Dodecylamin, Acrylsaeurenitril (55-60grad,15h);

upstream raw materials:

n-Dodecylamine

acrylonitrile

Downstream raw materials:

2-(N-dodecylamino)ethanol

dodecylmethylammonium chloride

N-methyldodecylamine

N-dodecyl-2,2'-iminodipropionitrile

Refernces