5-Aminohexanoic acid

Base Information

• Chemical Name: 5-Aminohexanoic acid
• CAS No.: 628-47-7
• Molecular Formula: C₆H₁₃NO₂
• Molecular Weight: 131.175
• DSSTox Substance ID: DTXSID50978462
• Nikkaji Number: J79.771E
• Mol file: 628-47-7.mol

Synonyms:5-Aminohexanoic acid;5-Aminocaproic acid;628-47-7;Hexanoic acid, 5-amino-;5-amino caproic acid;delta-Aminocaproic acid;BRN 1749088;5-amino-hexanoic acid;5-Aminohexanoicacid;5-Aminocapronic acid;SCHEMBL146088;DTXSID50978462;AKOS006274603;LS-75187;LS-75192;EN300-123334

Chemical Property of 5-Aminohexanoic acid

Chemical Property:

• Vapor Pressure: 0.00851mmHg at 25°C
• Melting Point: 172 °C
• Boiling Point: 247°C at 760 mmHg
• PKA: 4.61±0.10(Predicted)
• Flash Point: 103.2°C
• PSA: 63.32000
• Density: 1.038g/cm³
• LogP: 1.28880
• XLogP3: -2.3
• 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:

98% ^*data from raw suppliers

5-AMINO CAPROIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(=O)O)N

Technology Process of 5-Aminohexanoic acid

There total 3 articles about 5-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:

5-ketohexanoic acid (3128-06-1) → 5-amino-hexanoic acid (628-47-7)

Guidance literature:

With [pentamethylcyclopentadienyl*Ir(N-phenyl-2-pyridinecarboxamidate)Cl]; ammonium formate; In methanol; at 37 ℃; for 6h; chemoselective reaction;

DOI:10.1016/j.tetlet.2020.152196

Reference yield:

→ 5-amino-hexanoic acid (628-47-7)

Guidance literature:

With barium dihydroxide; water;

Reference yield:

→ 5-amino-hexanoic acid (628-47-7)

Guidance literature:

With hydrogenchloride; In water; at 0 - 80 ℃; Inert atmosphere;

upstream raw materials:

5-ketohexanoic acid

Refernces

• 1、 -. "HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS". Paragraph 082; 155; 195. . Retrieved 2020/12/11.