Basic information
- CAS
2445-97-8- Standard SMILES
CC(CC(=O)O)C(N)C(=O)O- InChIKey
FHJNAFIJPFGZRI-UHFFFAOYSA-N- Molecular formula
- C6H11NO4
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.06880783
Overview
See also: 3-Methylglutamic acid (annotation moved to).
Names & identifiers
- Preferred name
- 2-Amino-3-methylpentanedioic acid
- IUPAC
- 2-amino-3-methylpentanedioic acid
- English name
- (2S,3R)-3-Methylglutamic acid hydrochloride salt
- Molecular formula
- C6H11NO4
- Molecular weight
- 161.16
Names & synonyms
2-amino-3-methylpentanedioic acidthreo-3-methylglutamate(+/-)-threo-3-Methylglutamic acid63088-04-02445-97-8Glutamic acid, 3-methyl-NSC41356NSC295435threo-3-methylglutamic acid3-Methylglutamic acid #NCIOpen2_000744dl-3-Methyl-dl-glutamic acid
Show more names
β-methyl-glutamic acidDL-beta-Methylglutamic acidbeta-Methyl-DL-glutamic acid2-amino-3-methyl-glutaric acid2-azanyl-3-methyl-pentanedioic acid(2s,3r)-3-Methylglutamic Acid Hydrochloride(2S,3R)-3-Methylglutamic acid hydrochloride salt
SCHEMBL398726GTPL4573CHEMBL3621953FHJNAFIJPFGZRI-UHFFFAOYSA-N2-amino-3-methyl-pentanedioic acidNSC82071NSC 41356NSC 82071
Database identifiers
- CAS
2445-97-8、6070-75-3、63088-04-0- PubChem CID
- 237657
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 82 °C · 82 °C
- Boiling point
- 329.4 · 329.4±32.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, Under Inert Atmosphere
- solubility
- Aqueous Acid (Slightly, Heated, Sonicated), Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 2.2 · 2.20±0.10(Predicted)
- color
- White to Pale Brown
- Stability
- Hygroscopic
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Applications
Uses(2S,3R)-3-Methylglutamic Acid Hydrochloride Salt is a derivative of glutamic acid, which is a neurotransmitter that plays crucial physiological roles in the central nervous system (1). (2S,3R)-3-Methylglutamic Acid Hydrochloride Salt inhibits glutamate transport (2). It is also a highly selective and potent agonist for kainate receptors.
Suppliers7 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海英奇曼化学科技有限公司18299177127 · [email protected]
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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