2-(Methylamino)propanenitrile

Base Information

• Chemical Name: 2-(Methylamino)propanenitrile
• CAS No.: 16752-54-8
• Molecular Formula: C4H8 N2
• Molecular Weight: 84.1209
• Hs Code.: 2926909090
• European Community (EC) Number: 687-789-0
• NSC Number: 617627
• DSSTox Substance ID: DTXSID40937341
• Nikkaji Number: J27.767C
• Mol file: 16752-54-8.mol

Synonyms:2-(Methylamino)propanenitrile;16752-54-8;Propanenitrile, 2-(methylamino)-;2-(Methylamino)propionitrile;CP 88440;MFCD00045617;NSC617627;DTXSID40937341;Propionitrile, 2-(methylamino)-;AKOS009236462;NSC-617627;SY019549;LS-120880;FT-0730611;EN300-54666;Propionitrile, 2-(methylamino)- (7CI,8CI)

Chemical Property of 2-(Methylamino)propanenitrile

Chemical Property:

• Vapor Pressure: 2.79mmHg at 25°C
• Boiling Point: 157.2°Cat760mmHg
• PKA: 4.77±0.10(Predicted)
• Flash Point: 48.9°C
• PSA: 35.82000
• Density: 0.865g/cm³
• LogP: 0.50878
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 84.068748264
• Heavy Atom Count: 6
• Complexity: 68.9

Purity/Quality:

97% ^*data from raw suppliers

2-(Methylamino)Propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#N)NC

Technology Process of 2-(Methylamino)propanenitrile

There total 13 articles about 2-(Methylamino)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: 90.0%

sodium cyanide (143-33-9,25596-52-5) + methylamine hydrochloride (593-51-1) + acetaldehyde (75-07-0,9002-91-9) → methylaminopropionitrile (16752-54-8)

Guidance literature:

In water; 1.) 0 deg C, 3 h, 2.) r.t., 30 min;

DOI:10.1039/a703741d

Reference yield: 60.0%

potassium carbonate (584-08-7) → methylaminopropionitrile (16752-54-8) + α-methylaminodipropionitrile (57768-53-3) + carbamate de l' α-N-methylaminopropionitrile

Guidance literature:

With potassium hydroxide; In water-d2; at 29 ℃; Yields of byproduct given; pH: 9;

DOI:10.1016/0040-4020(80)80137-2

Reference yield:

1,5-dimethylimidazolidine-2,4-dione (17374-27-5) → methylaminopropionitrile (16752-54-8) + α-methylaminodipropionitrile (57768-53-3) + carbamate de l' α-N-methylaminopropionitrile + 2-hydroxy-propionitrile (78-97-7)

Guidance literature:

With sodium hydrogencarbonate; at 30 ℃; Equilibrium constant; K as a function of pH and concentration of carbonate, borate, phosphate and ammonia;

DOI:10.1016/0040-4020(80)80137-2

upstream raw materials:

sodium cyanide

methylamine hydrochloride

acetaldehyde

hydrogen cyanide

Downstream raw materials:

N-(Cyano-methyl-methyl)-N-methyl-2-nitro-benzamide

α-N-methylaminopropionamide

α-methylaminodipropionitrile

carbamate de la methylamine

Refernces

• 1、 Zoete, Vincent,Bailly, Fabrice,Catteau, Jean-Pierre,Bernier, Jean-Luc. "Design, synthesis and antioxidant properties of ovothiol-derived 4-mercaptoimidazoles". . p. 2983 - 2988. Retrieved 2007/10/03.
• 2、 Corte, Bart De,Denis, Jean-Marc,Kimpe, Norbert De. "A Convenient Synthesis of C-Unsubstituted and C-Monoalkylated Ketene Imines by Dehydrocyanation of Imidoyl Cyanides Using Vacuum Gas-Solid Reactions". . p. 1147 - 1149. Retrieved 2007/10/02.