L-N-Amidinoaspartic acid

Base Information

• Chemical Name: L-N-Amidinoaspartic acid
• CAS No.: 6133-30-8
• Molecular Formula: C5H9 N3 O4
• Molecular Weight: 175.144
• Hs Code.: 2925290090
• NSC Number: 49078
• DSSTox Substance ID: DTXSID80863695
• Wikidata: Q27162351
• Mol file: 6133-30-8.mol

Synonyms:guanidinosuccinic acid;guanidinosuccinic acid, (DL)-isomer

Chemical Property of L-N-Amidinoaspartic acid

Chemical Property:

• Vapor Pressure: 2.19E-06mmHg at 25°C
• Boiling Point: 366.9°C at 760 mmHg
• PKA: 3.22±0.23(Predicted)
• Flash Point: 175.7°C
• PSA: 136.50000
• Density: 1.74g/cm³
• LogP: -0.41170
• Storage Temp.: 2-8°C
• XLogP3: -2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 175.05930578
• Heavy Atom Count: 12
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

Guanidinosuccinicacid >98% ^*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(C(C(=O)O)N=C(N)N)C(=O)O

Technology Process of L-N-Amidinoaspartic acid

There total 3 articles about L-N-Amidinoaspartic 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:

L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + S-Methylisothiourea sulfate (867-44-7,147895-43-0) → guanidinosuccinic acid (6133-30-8)

Guidance literature:

With ammonium hydroxide;

Reference yield:

L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + carbamimidothioic acid methyl ester (2986-19-8) → guanidinosuccinic acid (6133-30-8)

Guidance literature:

Reference yield:

L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + 2-methyl-isourea (2440-60-0) → guanidinosuccinic acid (6133-30-8)

Guidance literature:

upstream raw materials:

L-Aspartic acid

carbamimidothioic acid methyl ester

2-methyl-isourea

S-Methylisothiourea sulfate