6-Guanidinohexanoic acid

Base Information

• Chemical Name: 6-Guanidinohexanoic acid
• CAS No.: 6659-35-4
• Molecular Formula: C7H15 N3 O2
• Molecular Weight: 173.215
• Hs Code.: 2925290090
• European Community (EC) Number: 229-696-6
• DSSTox Substance ID: DTXSID50216755
• Nikkaji Number: J38.912I
• Wikidata: Q27144435
• Mol file: 6659-35-4.mol

Synonyms:epsilon-guanidinocaproate

Chemical Property of 6-Guanidinohexanoic acid

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 5.31E-07mmHg at 25°C
• Melting Point: ~310 °C
• Refractive Index: 1.541
• Boiling Point: 385.2 °C at 760 mmHg
• PKA: 4.74±0.10(Predicted)
• Flash Point: 186.7 °C
• PSA: 99.20000
• Density: 1.25 g/cm³
• LogP: 1.30540
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 173.116426730
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

6-GUANIDINO-HEXANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCC(=O)O)CCN=C(N)N

Technology Process of 6-Guanidinohexanoic acid

There total 8 articles about 6-Guanidinohexanoic 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: 89.0%

S-methylisothiourea hemisulphate (147895-43-0) + 6-aminohexanoic acid (60-32-2,93208-38-9) → ε-guanidinocaproic acid (6659-35-4)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/j.bmc.2007.04.030

Reference yield: 76.0%

aminoiminomethanesulfonic acid (1184-90-3) + 6-aminohexanoic acid (60-32-2,93208-38-9) → ε-guanidinocaproic acid (6659-35-4)

Guidance literature:

With sodium carbonate; In water; for 20h;

DOI:10.1021/ac0262560

Reference yield:

amino-iminomethane sulphonic acid + 6-aminohexanoic acid (60-32-2,93208-38-9) → ε-guanidinocaproic acid (6659-35-4)

Guidance literature:

With sodium carbonate; In water;

upstream raw materials:

carbamimidothioic acid methyl ester

6-aminohexanoic acid

CYANAMID

aminoiminomethanesulfonic acid

Downstream raw materials:

p-ethoxycarbonylphenyl 6-guanidinohexanoate

6-(5-bromo-pyrimidin-2-ylamino)-hexanoic acid

6-(5-chloro-pyrimidin-2-ylamino)-hexanoic acid ; hydrogen sulfate

Refernces

• 1、 Liu, Feng-Zhi,Fang, Hao,Zhu, Hua-Wei,Wang, Qiang,Yang, Yue,Xu, Wen-Fang. "Design, synthesis, and preliminary evaluation of 4-(6-(3-nitroguanidino)hexanamido)pyrrolidine derivatives as potential iNOS inhibitors". . p. 578 - 585. Retrieved 2008/04/12.
• 2、 Thompson, Andrew,Schaefer, Juergen,Kuhn, Karsten,Kienle, Stefan,Schwarz, Josef,Schmidt, Guenter,Neumann, Thomas,Hamon, Christian. "Tandem mass tags: A novel quantification strategy for comparative analysis of complex protein mixtures by MS/MS". . p. 1895 - 1904. Retrieved 2007/10/03.