N,N-Dimethyl-L-Alanine

Base Information

• Chemical Name: N,N-Dimethyl-L-Alanine
• CAS No.: 2812-31-9
• Molecular Formula: C5H11 N O2
• Molecular Weight: 117.148
• European Community (EC) Number: 804-935-2,843-330-8
• DSSTox Substance ID: DTXSID00182395
• Nikkaji Number: J674.685C
• Wikidata: Q76309633
• Metabolomics Workbench ID: 146772
• Mol file: 2812-31-9.mol

Synonyms:N(alpha),N(alpha)-dimethylalanine;N,N-dimethylalanine

Chemical Property of N,N-Dimethyl-L-Alanine

Chemical Property:

• Vapor Pressure: 0.431mmHg at 25°C
• Melting Point: 184-185 °C
• Boiling Point: 179.9°Cat760mmHg
• PKA: 2.34±0.11(Predicted)
• Flash Point: 62.6°C
• PSA: 40.54000
• Density: 1.033g/cm³
• LogP: 0.02110
• Storage Temp.: 2-8°C
• XLogP3: -2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 90.4

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-(Dimethylamino)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)N(C)C
• Isomeric SMILES: C[C@@H](C(=O)O)N(C)C

Technology Process of N,N-Dimethyl-L-Alanine

There total 8 articles about N,N-Dimethyl-L-Alanine 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:

mauritine-A → L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) + N,N-dimethyl-L-alanine (2812-31-9)

Guidance literature:

With hydrogenchloride; water; at 120 ℃; for 20h;

Reference yield:

jubanine I → L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + L-isoleucine (73-32-5,959215-79-3,18875-42-8) + N,N-dimethyl-L-alanine (2812-31-9)

Guidance literature:

With hydrogenchloride; water; at 110 ℃; for 0.5h;

DOI:10.1016/j.phytochem.2015.09.001

Reference yield:

jubanine J → L-isoleucine (73-32-5,959215-79-3,18875-42-8) + N,N-dimethyl-L-alanine (2812-31-9)

Guidance literature:

With hydrogenchloride; water; at 110 ℃; for 0.5h;

DOI:10.1016/j.phytochem.2015.09.001

Downstream raw materials:

methyl (2S)-2-(dimethylamino)propanoate

(+)-N--L-prolyl>-L-phenylalanine methyl ester

(S)-2-(dimethylamino)-1-propanol

mauritine-A