6-[(2-Carboxyethyl)amino]hexanoic acid

Base Information

• Chemical Name: 6-[(2-Carboxyethyl)amino]hexanoic acid
• CAS No.: 4383-91-9
• Molecular Formula: C₉H₁₇NO₄
• Molecular Weight: 203.238
• NSC Number: 100168
• DSSTox Substance ID: DTXSID50295181
• Wikidata: Q82034960

Synonyms:4383-91-9;6-[(2-carboxyethyl)amino]hexanoic acid;NSC100168;NCIOpen2_007182;DTXSID50295181;NSC-100168

Chemical Property of 6-[(2-Carboxyethyl)amino]hexanoic acid

Chemical Property:

• Vapor Pressure: 5.81E-08mmHg at 25°C
• Boiling Point: 412.5°Cat760mmHg
• Flash Point: 203.3°C
• Density: 1.16g/cm³
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 203.11575802
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

99.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCC(=O)O)CCNCCC(=O)O

Technology Process of 6-[(2-Carboxyethyl)amino]hexanoic acid

There total 3 articles about 6-[(2-Carboxyethyl)amino]hexanoic 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:

hexahydro-1-(2'-cyanoethyl)-2H-azepin-2-one (7336-15-4) → 4-azasebacic acid (4383-91-9)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01186a035

Reference yield:

N-(5-cyano-pentyl)-β-alanine nitrile (99063-61-3) → 4-azasebacic acid (4383-91-9)

Guidance literature:

With water; ueber mit H₃PO₄ und Na₂HPO₄ getraenktem Koks;

Reference yield:

1-amino-5-cyanopentane (2432-74-8) → 4-azasebacic acid (4383-91-9)

Guidance literature:

Multi-step reaction with 2 steps

2: H₂O / ueber mit H₃PO₄ und Na₂HPO₄ getraenktem Koks

With water;

upstream raw materials:

hexahydro-1-(2'-cyanoethyl)-2H-azepin-2-one

N-(5-cyano-pentyl)-β-alanine nitrile

1-amino-5-cyanopentane

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