4-Aminobutyronitrile monohydrochloride

Base Information

• Chemical Name: 4-Aminobutyronitrile monohydrochloride
• CAS No.: 16011-90-8
• Molecular Formula: C4H8 N2 . Cl H
• Molecular Weight: 120.582
• Hs Code.: 2926909090
• European Community (EC) Number: 240-145-9
• DSSTox Substance ID: DTXSID90166801
• Mol file: 16011-90-8.mol

Synonyms:4-aminobutanenitrile hydrochloride;16011-90-8;4-Aminobutyronitrile monohydrochloride;4-aminobutanenitrile;hydrochloride;4-Aminobutyronitrile HCl;EINECS 240-145-9;4-aminobutyronitrile hydrochloride;4-Aminobutanenitrile HCl;C4-H8-N2.Cl-H;SCHEMBL2221812;4-aminobutanenitrilehydrochloride;3-aminopropylcyanide hydrochloride;DTXSID90166801;BPGZMPVIXFJEDB-UHFFFAOYSA-N;MFCD16619402;AKOS026743503;BS-51191;CS-0343605;EN300-132659;F87825;Z1649677743

Chemical Property of 4-Aminobutyronitrile monohydrochloride

Chemical Property:

• Vapor Pressure: 0.312mmHg at 25°C
• Boiling Point: 201.2°Cat760mmHg
• Flash Point: 75.5°C
• PSA: 49.81000
• Density: g/cm³
• LogP: 1.75118
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 120.0454260
• Heavy Atom Count: 7
• Complexity: 59.2

Purity/Quality:

98%min ^*data from raw suppliers

4-aminobutanenitrilehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC#N)CN.Cl

Technology Process of 4-Aminobutyronitrile monohydrochloride

There total 6 articles about 4-Aminobutyronitrile 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: 92.0%

C17H16N2 → 4-aminobutyronitrile hydrochloride (16011-90-8)

Guidance literature:

With bromine; In methanol; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c9cc02030f

Reference yield: 90.0%

5-Amino-2-(hydroxyimino)pentansaeure (146952-04-7) → 4-aminobutyronitrile hydrochloride (16011-90-8)

Guidance literature:

With hydrogenchloride; Δ;

Reference yield: 85.0%

4-aminobutyronitrile (32754-99-7) → 4-aminobutyronitrile hydrochloride (16011-90-8)

Guidance literature:

With hydrogenchloride; In chloroform; at 4 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1080/00397911.2020.1832527

upstream raw materials:

5-Amino-2-(hydroxyimino)pentansaeure

4-bromobutanenitrile

butanedinitrile

4-aminobutyronitrile

Downstream raw materials:

4-(Benzoylamino)butansaeurenitril

4-(Phenylacetylamino)butansaeurenitril