2,2'-Iminobispropiononitrile

Base Information

• Chemical Name: 2,2'-Iminobispropiononitrile
• CAS No.: 2869-25-2
• Molecular Formula: C6H9 N3
• Molecular Weight: 123.158
• European Community (EC) Number: 220-693-5
• DSSTox Substance ID: DTXSID60951347
• Nikkaji Number: J306.786F
• Mol file: 2869-25-2.mol

Synonyms:2869-25-2;2,2'-Iminobispropiononitrile;2-(1-cyanoethylamino)propanenitrile;2,2'-Iminodipropionitrile;2,2'-Azanediyldipropanenitrile;Propionitrile, 2,2'-iminodi-;Di(1-cianoetil)ammina;Di(1-cianoetil)ammina [Italian];EINECS 220-693-5;BRN 1722144;2,2'-Iminobispropanenitrile;2449 I.S.;Propanenitrile, 2,2'-iminobis-;3-04-00-01251 (Beilstein Handbook Reference);starbld0022770;SCHEMBL446615;2,2'-Iminobis(propanenitrile);DTXSID60951347;AKOS006348898;2449 I.S;LS-124939

Chemical Property of 2,2'-Iminobispropiononitrile

Chemical Property:

• Boiling Point: 311.1°Cat760mmHg
• Flash Point: 141.9°C
• PSA: 59.61000
• Density: 0.993g/cm³
• LogP: 0.79106
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 123.079647300
• Heavy Atom Count: 9
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

2,2''-Iminobispropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#N)NC(C)C#N
• Uses: 2,2''-Iminobispropanenitrile is an impurity in the synthesis of rac-α-Aminopropionitrile Hydrochloride (A628180).

Technology Process of 2,2'-Iminobispropiononitrile

There total 22 articles about 2,2'-Iminobispropiononitrile 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: 73.0%

potassium cyanide (151-50-8) + acetaldehyde (75-07-0,9002-91-9) → 2,2'-iminodipropionitrile (2869-25-2) + 2-aminopropanenitrile (51806-98-5,95596-57-9,2134-48-7)

Guidance literature:

With ammonia; ammonium chloride; In methanol; Ambient temperature;

DOI:10.1002/hlca.19870700424

Reference yield:

→ 2,2'-iminodipropionitrile (2869-25-2)

Guidance literature:

With hydrogen sulfide; ammonia; water; at 0 ℃;

Reference yield:

acrylonitrile (107-13-1,25014-41-9) + 2-aminopropanenitrile (51806-98-5,95596-57-9,2134-48-7) → 2,2'-iminodipropionitrile (2869-25-2)

Guidance literature:

With ammonia;

upstream raw materials:

hydrogen cyanide

2,4,6-Trimethyl-[1,3,5]triazinane; hydrate

acetaldehyde

2-aminopropanenitrile

Downstream raw materials:

2,2'-iminodipropionic acid

2-hydroxy-propionitrile

2-aminopropanenitrile

methyl-5 hydantoine