4-(Dibutylamino)butyronitrile

Base Information

• Chemical Name: 4-(Dibutylamino)butyronitrile
• CAS No.: 5417-24-3
• Molecular Formula: C19H27F3N2
• Molecular Weight: 196.336
• Hs Code.: 2926909090
• European Community (EC) Number: 226-516-8
• NSC Number: 7386
• UNII: HF3D7F9VNP
• DSSTox Substance ID: DTXSID90202516
• Nikkaji Number: J217.991A
• Wikidata: Q83075806
• Mol file: 5417-24-3.mol

Synonyms:4-(Dibutylamino)butyronitrile;5417-24-3;4-(dibutylamino)butanenitrile;Butanenitrile, 4-(dibutylamino)-;NSC-7386;EINECS 226-516-8;NSC7386;4-(DIBUTYLAMINO)-BUTYRONITRILE;HF3D7F9VNP;4-Dibutylaminobutyronitrile;SCHEMBL147519;DTXSID90202516;Butyronitrile, 4-(dibutylamino)-;4-(N,N-Dibutylamino)butanenitrile;NSC 7386;AKOS009061023;Butanenitrile (9CI), 4-(dibutylamino)-;Butyronitrile (8CI), 4-(dibutylamino)-;FT-0618336

Chemical Property of 4-(Dibutylamino)butyronitrile

Chemical Property:

• Vapor Pressure: 1E-06mmHg at 25°C
• Boiling Point: 292.5°Cat760mmHg
• PKA: 9.20±0.50(Predicted)
• Flash Point: 110.6°C
• PSA: 27.03000
• Density: 0.863g/cm³
• LogP: 3.19238
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 196.193948774
• Heavy Atom Count: 14
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

4-(Dibutylamino)-butyronitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCN(CCCC)CCCC#N

Technology Process of 4-(Dibutylamino)butyronitrile

There total 2 articles about 4-(Dibutylamino)butyronitrile 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:

dibutyl-(3-chloro-propyl)-amine (36421-15-5) + potassium cyanide (151-50-8) → 4-dibutylamino-butyronitrile (5417-24-3)

Guidance literature:

DOI:10.1021/ja01137a017 DOI:10.1021/jo50016a015

Reference yield:

4-Chlorobutyronitrile (628-20-6) + dibutylamine (111-92-2) → 4-dibutylamino-butyronitrile (5417-24-3)

Guidance literature:

upstream raw materials:

dibutyl-(3-chloro-propyl)-amine

potassium cyanide

4-Chlorobutyronitrile

dibutylamine