4-Aminohexanoic acid

Base Information

• Chemical Name: 4-Aminohexanoic acid
• CAS No.: 5415-99-6
• Molecular Formula: C6H13 N O2
• Molecular Weight: 131.17
• Hs Code.: 2922499990
• NSC Number: 11326
• DSSTox Substance ID: DTXSID301315354
• Mol file: 5415-99-6.mol

Synonyms:4-Aminohexanoic acid;5415-99-6;4-AMINO HEXANOIC ACID;NSC-11326;g-aminocaproic acid;D0L5IN;SCHEMBL900872;DTXSID301315354;NSC11326;NSC 11326;AKOS000277394;AKOS017258812;CS-0295981;EN300-243358

Chemical Property of 4-Aminohexanoic acid

Chemical Property:

• Vapor Pressure: 0.00707mmHg at 25°C
• Boiling Point: 249.9°Cat760mmHg
• Flash Point: 105°C
• PSA: 63.32000
• Density: 1.038g/cm³
• LogP: 1.28880
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 131.094628657
• Heavy Atom Count: 9
• Complexity: 93.1

Purity/Quality:

99% ^*data from raw suppliers

4-Aminohexanoicacidhydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCC(=O)O)N

Technology Process of 4-Aminohexanoic acid

There total 7 articles about 4-Aminohexanoic acid 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: 99.0%

C13H17NO4 → 4-ethyl aminobutyric acid (5415-99-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; for 18h;

Reference yield: 90.0%

4-amino-5-hexenoic acid (60643-86-9,68506-86-5) → 4-ethyl aminobutyric acid (5415-99-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; water; at 20 - 30 ℃; for 16h; under 3750.38 Torr; Autoclave;

DOI:10.1080/00397911.2018.1550200

Reference yield: 74.0%

5-ethyl-2-pyrrolidinone (10312-40-0) → 4-ethyl aminobutyric acid (5415-99-6)

Guidance literature:

With potassium hydroxide; In water; for 2h; Reflux;

DOI:10.1080/00397911.2018.1550200

upstream raw materials:

5-ethyl-2-pyrrolidinone

5-methyl-4-nitro-thiophene-2-carboxylic acid

4-amino-5-hexenoic acid

Refernces

• 1、 Karumanchi, Kishore,Natarajan, Senthil Kumar,Gadde, Sunil,Chavakula, Ramadas,Korupolu, Raghu Babu,Bonige, Kishore Babu. "Synthesis and characterization of potential impurities of Vigabatrin-An anti epileptic drug". . p. 359 - 366. Retrieved 2019/01/30.