N-Methylaspartic acid

Basic Information

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CAS Number

17833-53-3

Molecular Formula

C5H9NO4

Molecular Weight

147.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Solubility

H2O: 25 mg/mL, clear, colorless

SMILES

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CNC(CC(=O)O)C(=O)O

InChI

InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)

InChIKey

HOKKHZGPKSLGJE-UHFFFAOYSA-N

LogP

-0.8662999999999996

Topological Polar Surface Area

86.63000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

145

Synonyms & References

English

N-Methyl-DL-aspartic acid
NCGC00015666-03
DTXSID20859971
BRD-A02508087-001-01-1
EU52DFC4WJ
17833-53-3
2-(Methylamino)succinic acid
BDBM50002343
CHEBI:181378
NCGC00015666-02
NCGC00015666-04
AKOS005066589
BCP21209
NSC16206
n-methyl-dl-aspartate
EN300-6958635
AC-24120
BP-12733
AM81641
DL-Aspartic acid, N-methyl-
UNII-EU52DFC4WJ
(R,S)-2-(Methylamino)succinic acid
N-Me-DL-Asp-OH
FT-0602829
N-Methyl-l-aspartic acid HCl
HMS3652P20
CS-W018216
NCGC00095062-02
Q27277365
Aspartic acid,N-methyl-
METHYL ASPARTIC ACID, DL-

MDL Number

MFCD00065918

Customs Code

2922499990

FAQ

What are the physical and chemical properties of N-Methylaspartic acid (CAS: 17833-53-3)?

N-Methylaspartic acid (CAS: 17833-53-3) is a white crystalline solid with a molecular weight of approximately 177.17 g/mol. It is slightly soluble in water and ethanol. This compound is known for its reactivity in amide and ester formation, and it is used in various chemical reactions due to its basic and amide functional groups.

How is N-Methylaspartic acid (CAS: 17833-53-3) typically synthesized?

N-Methylaspartic acid (CAS: 17833-53-3) is synthesized by the methylation of aspartic acid using methylamine. Commonly, this reaction is carried out in the presence of a base like sodium hydroxide, with a yield of around 80-90%. The reaction is highly selective and efficient, making it a preferred method for industrial production.

What industries use N-Methylaspartic acid (CAS: 17833-53-3)?

N-Methylaspartic acid (CAS: 17833-53-3) is primarily used in the pharmaceutical industry for the synthesis of various peptides and in the production of certain amino acid derivatives. It is also utilized in the food industry as a flavor enhancer and in the polymer industry for the preparation of plasticizers and other additives.

What precautions should be taken when handling N-Methylaspartic acid (CAS: 17833-53-3)?

When handling N-Methylaspartic acid (CAS: 17833-53-3), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be carried out in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and handling instructions.