3-Guanidinobutyric acid

Base Information

• Chemical Name: 3-Guanidinobutyric acid
• CAS No.: 352-83-0
• Molecular Formula: C5H11 N3 O2
• Molecular Weight: 145.161
• Hs Code.: 2925290090
• NSC Number: 49063
• ChEMBL ID: CHEMBL21110
• Mol file: 352-83-0.mol

Synonyms:3-guanidinobutyric acid;beta-guanidinobutyric acid

Chemical Property of 3-Guanidinobutyric acid

Chemical Property:

• Vapor Pressure: 1.02E-05mmHg at 25°C
• Boiling Point: 346.4°Cat760mmHg
• Flash Point: 163.3°C
• PSA: 99.20000
• Density: 1.38g/cm³
• LogP: 0.52360
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 145.085126602
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)O)N=C(N)N

Technology Process of 3-Guanidinobutyric acid

There total 3 articles about 3-Guanidinobutyric 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: 22.0%

3-aminobutyric acid (2835-82-7) + di(1,2-dimethylisothiourea) sulfate → beta-Guanidinobutyric acid (352-83-0)

Guidance literature:

With ammonium hydroxide; at 20 ℃; for 24h;

DOI:10.1021/jm000095f

Reference yield:

3-aminobutyric acid (2835-82-7) + 2-methyl-isourea (2440-60-0) → beta-Guanidinobutyric acid (352-83-0)

Guidance literature:

With methanol;

Reference yield:

3-aminobutyric acid (2835-82-7) + carbamimidothioic acid methyl ester (2986-19-8) → beta-Guanidinobutyric acid (352-83-0)

Guidance literature:

With ammonium hydroxide;

upstream raw materials:

3-aminobutyric acid

carbamimidothioic acid methyl ester

2-methyl-isourea

Downstream raw materials:

2-amino-6-methyl-5,6-dihydro-3H-pyrimidin-4-one

6-Methyl-5,6-dihydro-isocytosin

Refernces