Basic information
- CAS
17833-53-3- Standard SMILES
CNC(CC(=O)O)C(=O)O- InChIKey
HOKKHZGPKSLGJE-UHFFFAOYSA-N- Molecular formula
- C5H9NO4
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.05315777
Overview
N-Methyl-DL-aspartic acid is an aspartic acid derivative.
Names & identifiers
- Preferred name
- N-Methylaspartic acid
- IUPAC
- 2-(methylamino)butanedioic acid
- English name
- N-Methyl-DL-aspartic acid
- Molecular formula
- C5H9NO4
- Molecular weight
- 147.13
Names & synonyms
N-Methyl-DL-aspartic acid17833-53-3N-methylaspartic acidEU52DFC4WJAspartic acid, N-methyl-DTXSID20859971RefChem:830670DTXCID302097212-(Methylamino)succinic acid2-(methylamino)butanedioic acidMFCD00065918SCHEMBL167682
Show more names
N-Mel-DL-Asp-OHUNII:EU52DFC4WJMETHYL ASPARTIC ACIDN-methyl-DL-asp acidN-Methyl-DL-AspartateDl-aspartic acid, N-methyl-DL-2-METHYLAMINOSUCCINIC ACID
CHEMBL275325METHYL ASPARTIC ACID, DL-HMS3675A03CS-W018216NCGC00095062-01NCGC00095062-02DS-145472-(Methylamino)succinic acid (Me-DL-Asp-OH)
Database identifiers
- CAS
17833-53-3、4226-18-0- PubChem CID
- 4376
- DTXSID
DTXSID20859971- ChEMBL
CHEMBL275325- ChEBI
CHEBI:181378
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
CosmeticsHair conditioning; Antistatic; Skin conditioning
Physicochemical properties
- Melting point
- 183 · 183-184 °C
- Boiling point
- 258.2 · 258.2±30.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 2 O: · H2O: 25 mg/mL, clear, colorless
- pka
- 2.21 · 2.21±0.23(Predicted)
- form
- Solid
- color
- White to off-white
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 52 DFC4WJ · EU52DFC4WJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H332-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10
- wgk
- 3
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302+H332-H315-H319-H335
- Precautionary statements
- P260-P280
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Hair conditioning; Antistatic; Skin conditioning
Applications
UsesN-Methyl-DL-aspartic Acid can be useful in the discrimination of lycium chinense and lycium barbarum based on metabolite anal. and hepatoprotective activity.
Suppliers100 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
苏州市森菲达化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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