(Dibutylamino)acetonitrile

Base Information

• Chemical Name: (Dibutylamino)acetonitrile
• CAS No.: 18071-38-0
• Molecular Formula: C10H20 N2
• Molecular Weight: 168.282
• Hs Code.: 2926909090
• European Community (EC) Number: 241-979-6
• DSSTox Substance ID: DTXSID00170999
• Nikkaji Number: J260.863D
• Wikidata: Q83041027
• Mol file: 18071-38-0.mol

Synonyms:(Dibutylamino)acetonitrile;18071-38-0;2-(dibutylamino)acetonitrile;(Di-N-Butylamino)Acetonitrile;Acetonitrile, 2-(dibutylamino)-;EINECS 241-979-6;2-Dibutylaminoacetonitrile;SCHEMBL240366;DTXSID00170999;AKOS009256749;FT-0612165

Chemical Property of (Dibutylamino)acetonitrile

Chemical Property:

• Vapor Pressure: 0.0158mmHg at 25°C
• Boiling Point: 256°Cat760mmHg
• PKA: 5.39±0.50(Predicted)
• Flash Point: 94.2°C
• PSA: 27.03000
• Density: 0.866g/cm³
• LogP: 2.41218
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 168.162648646
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

98%min ^*data from raw suppliers

(Di-N-Butylamino)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)CC#N

Technology Process of (Dibutylamino)acetonitrile

There total 3 articles about (Dibutylamino)acetonitrile 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + potassium cyanide (151-50-8) + dibutylamine (111-92-2) → N,N-dibutyl-glycine nitrile (18071-38-0)

Guidance literature:

With sodium metabisulfite; water;

Reference yield:

methacryloyloxy-acetonitrile (7726-87-6) + dibutylamine (111-92-2) → N,N-dibutyl-glycine nitrile (18071-38-0)

Guidance literature:

DOI:10.1246/bcsj.40.2706

Reference yield:

dibutylamine (111-92-2) + chloroacetonitrile (107-14-2) → N,N-dibutyl-glycine nitrile (18071-38-0)

Guidance literature:

With sodium carbonate; In benzene;

upstream raw materials:

formaldehyd

potassium cyanide

dibutylamine

methacryloyloxy-acetonitrile

Downstream raw materials:

n,n-di-n-butylethylenediamine

N,N,N',N'-tetrabutyldiethylenetriamine