4-((Benzyl)amino)butyronitrile monohydrochloride

Base Information

• Chemical Name: 4-((Benzyl)amino)butyronitrile monohydrochloride
• CAS No.: 7544-97-0
• Molecular Formula: C11H14 N2 . Cl H
• Molecular Weight: 210.706
• European Community (EC) Number: 231-425-1
• DSSTox Substance ID: DTXSID90226358
• Mol file: 7544-97-0.mol

Synonyms:7544-97-0;4-((Benzyl)amino)butyronitrile monohydrochloride;4-(benzylamino)butanenitrile hydrochloride;4-[(BENZYL)AMINO]BUTYRONITRILE MONOHYDROCHLORIDE;4-(benzylamino)butanenitrile;hydrochloride;4-((Benzyl)amino)butyronitrile HCl;EINECS 231-425-1;SCHEMBL9373176;DTXSID90226358;4-(benzylamino)butanenitrilehydrochloride;EN300-130693

Chemical Property of 4-((Benzyl)amino)butyronitrile monohydrochloride

Chemical Property:

• Vapor Pressure: 0.000352mmHg at 25°C
• Boiling Point: 318.9°C at 760 mmHg
• Flash Point: 146.6°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 210.0923762
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

4-(benzylamino)butanenitrilehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCCCC#N.Cl

Technology Process of 4-((Benzyl)amino)butyronitrile monohydrochloride

There total 1 articles about 4-((Benzyl)amino)butyronitrile monohydrochloride 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:

4-Chlorobutyronitrile (628-20-6) + benzylamine (100-46-9) → 4-(benzylamino)-butyronitrile hydrochloride (7544-97-0)

Guidance literature:

With potassium iodide; potassium carbonate; In dichloromethane; water; butan-1-ol;

Reference yield: 74.0%

4-(benzylamino)-butyronitrile hydrochloride (7544-97-0) → 4-(Benzylamino)-buttersaeureamid-Hydrochlorid (79430-84-5)

Guidance literature:

With hydrogenchloride; at 26 ℃; for 1h;

DOI:10.1002/ardp.19813140714

Reference yield:

4-(benzylamino)-butyronitrile hydrochloride (7544-97-0) → sodium chloride + 4-(Benzylamino)-buttersaeureamid-Hydrochlorid (79430-84-5)

Guidance literature:

With hydrogenchloride; sodium hydroxide;

upstream raw materials:

4-Chlorobutyronitrile

benzylamine

Downstream raw materials:

4-(Benzylamino)-buttersaeureamid-Hydrochlorid

2-<4-butyl>5-nitro-1H-isoindole-1,3(2H)dione

5-nitro-2-<4-butyl>-1H-isoindole-1,3(2H)-dione

Refernces