N-(2-aminoethyl)cyclohexanecarboxamide

Base Information

• Chemical Name: N-(2-aminoethyl)cyclohexanecarboxamide
• CAS No.: 53673-07-7
• Molecular Formula: C9H18N2O
• Molecular Weight: 170.255
• DSSTox Substance ID: DTXSID80515622
• Wikidata: Q82376583
• Mol file: 53673-07-7.mol

Synonyms:N-(2-aminoethyl)cyclohexanecarboxamide;53673-07-7;cyclohexanecarboxylic acid (2-amino-ethyl)-amide;SCHEMBL61158;DTXSID80515622;QAAZOUGPFRWASO-UHFFFAOYSA-N;AKOS000146545;CS-0453373;EN300-58217;F21137;F1967-1651

Chemical Property of N-(2-aminoethyl)cyclohexanecarboxamide

Chemical Property:

• PSA: 58.61000
• LogP: 2.18220
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.141913202
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

N-(2-AMINOETHYL)CYCLOHEXANECARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)NCCN

Technology Process of N-(2-aminoethyl)cyclohexanecarboxamide

There total 4 articles about N-(2-aminoethyl)cyclohexanecarboxamide 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:

C17H24N2O3 → cyclohexanecarboxylic acid (2-amino-ethyl)-amide (53673-07-7)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 2h;

DOI:10.1016/j.bmc.2020.115493

Reference yield:

methyl cyclohexylcarboxylate (4630-82-4) + ethylenediamine (107-15-3,85404-18-8) → cyclohexanecarboxylic acid (2-amino-ethyl)-amide (53673-07-7)

Guidance literature:

at 100 ℃; for 18h; Yield given;

DOI:10.1021/jm00176a002

Reference yield:

ethylenediamine (107-15-3,85404-18-8) + cyclohexanylcarbonyl chloride (2719-27-9) → cyclohexanecarboxylic acid (2-amino-ethyl)-amide (53673-07-7)

Guidance literature:

With MC; at 0 - 20 ℃; for 18h;

DOI:10.1016/j.bmc.2019.03.062

upstream raw materials:

methyl cyclohexylcarboxylate

ethylenediamine

cyclohexanylcarbonyl chloride

Downstream raw materials:

C₁₉H₃₃N₃O₃

Cyclohexanecarboxylic acid [2-(2-hydroxy-3-phenoxy-propylamino)-ethyl]-amide

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