6-Aminohexanoic acid hydrochloride

Base Information

• Chemical Name: 6-Aminohexanoic acid hydrochloride
• CAS No.: 4321-58-8
• Molecular Formula: C6H13NO2
• Molecular Weight: 167.636
• Hs Code.: 2923900090
• UNII: 6F7MVZ49RC
• DSSTox Substance ID: DTXSID80195786
• NSC Number: 59010
• Wikidata: Q27264819
• Mol file: 4321-58-8.mol

Synonyms:6-Aminohexanoic acid hydrochloride;4321-58-8;Aminocaproic acid hydrochloride;epsilon-Aminocaproic acid hydrochloride;6-aminohexanoic acid;hydrochloride;6-aminohexanoic acid hcl;6F7MVZ49RC;Hexanoic acid, 6-amino-, hydrochloride (1:1);6-Aminocaproic acid (hydrochloride);NSC-59010;UNII-6F7MVZ49RC;Hexanoic acid, 6-amino-, hydrochloride;|A-Aminocaproic Acid Hydrochloride;epsilon-Aminocaproic acid hydrochloride [MI];Hexanoic acid, hydrochloride;6-Aminohexanoicacidhydrochloride;AMY977;SCHEMBL1938477;HY-B0236A;DTXSID80195786;?-Aminocaproic Acid Hydrochloride;AENOKLOQCCSDAZ-UHFFFAOYSA-N;NSC59010;NSC 59010;AKOS015968871;CCG-212477;MS-20923;CS-0143569;FT-0661646;EN300-30006;.EPSILON.-AMINOCAPROIC ACID HYDROCHLORIDE;A872729;.EPSILON.-AMINOCAPROIC ACID HYDROCHLORIDE [MI];Q27264819;F1905-7096;Z1272730910

Chemical Property of 6-Aminohexanoic acid hydrochloride

Chemical Property:

• Melting Point: 128-129°
• PSA: 63.32000
• LogP: 2.09240
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 167.0713064
• Heavy Atom Count: 10
• Complexity: 83.1

Purity/Quality:

98% ^*data from raw suppliers

6-AminohexanoicAcidHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCC(=O)O)CCN.Cl
• Uses: ε-AMinocaproic Acid Hydrochloride can be used in the preparatiom of esters of 6-aminohexanoic acid

Technology Process of 6-Aminohexanoic acid hydrochloride

There total 8 articles about 6-Aminohexanoic acid hydrochloride 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: 98.0%

caprolactam (105-60-2,9012-16-2) → 6-aminohexanoic acid hydrochloride (4321-58-8)

Guidance literature:

With hydrogenchloride; water; at 20 - 90 ℃; for 15h; Inert atmosphere;

Reference yield: 98.0%

methyl 6-isocyanatohexanoate (29640-13-9) → 6-aminohexanoic acid hydrochloride (4321-58-8)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 24h;

Reference yield: 97.0%

6-(Ethoxycarbonylamino)hexansaeure-ethylester (5180-73-4) → 6-aminohexanoic acid hydrochloride (4321-58-8)

Guidance literature:

With hydrogenchloride; formic acid; In water; at 125 ℃; for 24h;

upstream raw materials:

methyl 6-isocyanatohexanoate

6-methoxycarbonylaminohexanoic acid methyl ester

6-(Ethoxycarbonylamino)hexansaeure-ethylester

6-aminohexanoic acid

Downstream raw materials:

6-aminohexanoicacid hydrochloride complex

ω-aminocaproic acid octyl ester hydrochloride

6-aminohexanoic acid

6-<3-(4-Ethoxy-phenyl)-ureido>-hexansaeure-

Refernces

• 1、 Rademeyer,Van Der Westhuizen. "Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro". . p. 6821 - 6836. Retrieved 2017/11/27.
• 2、 Tommasi, Sara,Zanato, Chiara,Carabeo, Rey,Mangoni, Arduino A.,Dall'Angelo, Sergio,Zanda, Matteo. "An Efficient Route to N-Monosubstituted Guanidino-Lactams". . p. 3067 - 3078. Retrieved 2015/09/28.