6-Aminohexanamide

Base Information

• Chemical Name: 6-Aminohexanamide
• CAS No.: 373-04-6
• Molecular Formula: C6H14 N2 O
• Molecular Weight: 130.19
• Hs Code.: 2924199090
• European Community (EC) Number: 206-762-2
• DSSTox Substance ID: DTXSID5059909
• Nikkaji Number: J213.567A
• Wikidata: Q81989001
• Mol file: 373-04-6.mol

Synonyms:6-Aminohexanamide;373-04-6;Hexanamide, 6-amino-;6-Aminocaproamide;EINECS 206-762-2;epsilon-aminocaproamide;SCHEMBL285471;6-aminohexanamide, AldrichCPR;DTXSID5059909;CHEBI:138501;AC6029;MFCD02093857;AKOS000197845;MS-21639;SY247974;CS-0137981;A1-16493;KQY

Chemical Property of 6-Aminohexanamide

Chemical Property:

• Vapor Pressure: 0.000623mmHg at 25°C
• Melting Point: 50-51 °C
• Boiling Point: 309.8°Cat760mmHg
• PKA: 16.59±0.40(Predicted)
• Flash Point: 141.2°C
• PSA: 70.10000
• Density: 0.985g/cm³
• LogP: 1.84080
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 130.110613074
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

98%min ^*data from raw suppliers

6-Aminohexanamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCC(=O)N)CCN

Technology Process of 6-Aminohexanamide

There total 12 articles about 6-Aminohexanamide 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%

methyl 6-oxohexanoate (6654-36-0) → caprolactam (105-60-2,9012-16-2) + poly(6-aminocaproamide-co-6-aminocaproic acid) + 6-aminocaproic amide (373-04-6) + methyl 6-aminohexanoate hydrochloride (2780-89-4) + 6-aminohexanoic acid (60-32-2,93208-38-9)

Guidance literature:

methyl 6-oxohexanoate; With ammonia; In methanol; water; at 35 ℃; for 0.00416667h; under 22502.3 Torr;

With hydrogen; 5 % ruthenium on Al2O3; In methanol; water; at 120 ℃; for 22h; under 22502.3 Torr;

Reference yield: 94.0%

→ 6-aminocaproic amide (373-04-6)

Guidance literature:

Reference yield: 83.94%

caprolactam (105-60-2,9012-16-2) → 6-aminocaproic amide (373-04-6)

Guidance literature:

With ammonia; In acetonitrile; at 30 - 350 ℃; for 20h; under 22502.3 Torr; Solvent; Temperature; Pressure; Reagent/catalyst; Autoclave;

upstream raw materials:

hexahydro-2H-oxepin-2-one

5-cyanovaleramide

ethyl 6-aminohexanoate

Boc-Lys-NH₂ hemioxalate

Downstream raw materials:

caprolactam

1-amino-5-cyanopentane

Nα-benzoyl-L-arginine

N-(Carbomoylpentamethylene)-4-hydroxybenzamidiniumchlorid

Refernces

• 1、 -. "Method for preparing 6-aminocapronitrile". Paragraph 0053-0056; 0059-0062; 0065-0068; 0071-0074. . Retrieved 2021/10/11.
• 2、 Schoen, Istvan,Szirtes, Tamas,Ueberhardt, Tamas,Csehi, Attila. "Sodium-Liquid Ammonia Reduction of Carboxamides to Alcohols". . p. 1916 - 1919. Retrieved 2007/10/02.