2-Amino-3-(methylamino)propanoic acid

Base Information

• Chemical Name: 2-Amino-3-(methylamino)propanoic acid
• CAS No.: 16676-91-8
• Deprecated CAS: 17463-44-4
• Molecular Formula: C₄H₁₀N₂O₂
• Molecular Weight: 118.136
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID101292415
• Nikkaji Number: J423.984I
• Wikipedia: Beta-Methylamino-L-alanine
• Wikidata: Q2930096
• ChEMBL ID: CHEMBL1486321
• Mol file: 16676-91-8.mol

Synonyms:2-amino-3(methylamino)propionic acid;alpha-amino-beta-methylaminopropionate;beta-methylamino-L-alanine;beta-N-methylamino-L-alanine;L-BMAA

Chemical Property of 2-Amino-3-(methylamino)propanoic acid

Chemical Property:

• Boiling Point: 284.2°Cat760mmHg
• Flash Point: 125.7°C
• PSA: 78.18000
• Density: 1.157g/cm³
• LogP: -1.62580
• Storage Temp.: 2-8°C
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 118.074227566
• Heavy Atom Count: 8
• Complexity: 84.1

Purity/Quality:

97% ^*data from raw suppliers

2-AMINO-3-(METHYLAMINO)PROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Plant Toxins
• Canonical SMILES: CNCC(C(=O)O)N

Technology Process of 2-Amino-3-(methylamino)propanoic acid

There total 4 articles about 2-Amino-3-(methylamino)propanoic 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:

DL-3-methylamino-3-acetylamino-propionic acid (119945-11-8) → b-N-methylamine-L-alanine (15920-93-1,16676-91-8,17463-44-4,20790-80-1)

Guidance literature:

(enzymatic catalysis);

DOI:10.1016/S0031-9422(00)86667-4

Reference yield:

DL-3-methylamino-3-acetylamino-propionic acid (119945-11-8) → (RS)-2-amino-3-(methylamino)propanoic acid (16676-91-8)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1021/jm00311a042 DOI:10.1016/S0031-9422(00)86667-4

Reference yield:

(2S,4S)-2-tert-Butyl-1-methyl-imidazolidine-4-carboxylic acid methyl ester → (RS)-2-amino-3-(methylamino)propanoic acid (16676-91-8)

Guidance literature:

With sodium hydroxide; for 1h; Yield given; Ambient temperature;

upstream raw materials:

DL-3-methylamino-3-acetylamino-propionic acid