Acetonitrile, diisobutylamino-

Base Information

• Chemical Name: Acetonitrile, diisobutylamino-
• CAS No.: 25553-97-3
• Molecular Formula: C10H20 N2
• Molecular Weight: 168.282
• Hs Code.: 2926909090
• European Community (EC) Number: 654-180-6
• NSC Number: 26720
• DSSTox Substance ID: DTXSID90180249
• Wikidata: Q83050787
• ChEMBL ID: CHEMBL1362587
• Mol file: 25553-97-3.mol

Synonyms:Diisobutylaminoacetonitrile;25553-97-3;Acetonitrile, diisobutylamino-;2-[bis(2-methylpropyl)amino]acetonitrile;NSC26720;NSC-26720;(diisobutylamino)acetonitrile;NCIStruc1_000285;NCIStruc2_000213;SCHEMBL236516;Acetonitrile, diisobutylamino-,;CHEMBL1362587;DTXSID90180249;NCI26720;CCG-37564;NCGC00013336;NSC 26720;AKOS009279931;NCGC00013336-02;NCGC00096453-01;NCI60_002156

Chemical Property of Acetonitrile, diisobutylamino-

Chemical Property:

• Vapor Pressure: 0.0301mmHg at 25°C
• Boiling Point: 244.6°Cat760mmHg
• Flash Point: 86.6°C
• PSA: 27.03000
• Density: 0.863g/cm³
• LogP: 2.12398
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 168.162648646
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

Diisobutylaminoacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN(CC#N)CC(C)C

Technology Process of Acetonitrile, diisobutylamino-

There total 2 articles about Acetonitrile, diisobutylamino- 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) + diisobutylamine (110-96-3) + potassium cyanide (151-50-8) → N,N-diisobutyl-glycine nitrile (25553-97-3)

Guidance literature:

With sodium disulfite; water; Analog der Dimethylverbindung;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + potassium cyanide (151-50-8) + diisobutylamine hydrochloride (18251-82-6) → N,N-diisobutyl-glycine nitrile (25553-97-3)

Guidance literature:

With water;

Reference yield:

bromocyane (506-68-3) + N,N-diisobutyl-glycine nitrile (25553-97-3) → N-cyanodiisobutylamine (1531-37-9) + cyanomethyl bromide (590-17-0)

Guidance literature:

at 100 ℃;

upstream raw materials:

formaldehyd

diisobutylamine

potassium cyanide

diisobutylamine hydrochloride

Downstream raw materials:

N-cyanodiisobutylamine

cyanomethyl bromide