4-((Benzyl)amino)butyramide monohydrochloride

Base Information

• Chemical Name: 4-((Benzyl)amino)butyramide monohydrochloride
• CAS No.: 79430-84-5
• Molecular Formula: C11H16 N2 O . Cl H
• Molecular Weight: 228.722
• European Community (EC) Number: 279-155-3
• DSSTox Substance ID: DTXSID801000463
• Mol file: 79430-84-5.mol

Synonyms:EINECS 279-155-3;79430-84-5;4-((Benzyl)amino)butyramide HCl;4-((Benzyl)amino)butyramide monohydrochloride;4-[(BENZYL)AMINO]BUTYRAMIDE MONOHYDROCHLORIDE;SCHEMBL11194575;DTXSID801000463;4-(Benzylamino)butanimidic acid--hydrogen chloride (1/1)

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

Chemical Property:

• Vapor Pressure: 2.65E-06mmHg at 25°C
• Boiling Point: 390.4°C at 760 mmHg
• Flash Point: 189.9°C
• PSA: 56.11000
• LogP: 3.38430
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 228.1029409
• Heavy Atom Count: 15
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 4-((Benzyl)amino)butyramide 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: 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;

Reference yield: 99.0%

4-(Benzylamino)-buttersaeureamid-Hydrochlorid (79430-84-5) → 4-aminobutyric acid amide hydrochloride (13031-62-4)

Guidance literature:

With hydrogen; palladium; In methanol; at 40 - 60 ℃; for 3h;

DOI:10.1002/ardp.19813140714

upstream raw materials:

4-(benzylamino)-butyronitrile hydrochloride

Downstream raw materials:

4-aminobutyric acid amide hydrochloride

Refernces

• 1、 Deller,Kleemann,Martens,Weigel. "A new route to 4-aminobutyric amide". . p. 648 - 649. Retrieved 2007/10/02.