CAS 23150-65-4 Dimethyl L-glutamate hydrochloride (HCID 12917568)

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Basic information

CAS: 23150-65-4
Standard SMILES: COC(=O)CC[C@H](N)C(=O)OC.Cl
InChIKey: MFUPLHQOVIUESQ-JEDNCBNOSA-N
Molecular formula: C7H14ClNO4
Average molar mass: 211.64 g/mol

Names & identifiers

Preferred name: Dimethyl L-glutamate hydrochloride
IUPAC: dimethyl (2S)-2-aminopentanedioate;hydrochloride
English name: L-Glutamic acid dimethyl ester hydrochloride
Molecular formula: C7H14ClNO4
Molecular weight: 211.64

Names & synonyms

23150-65-4Dimethyl L-Glutamate Hydrochlorideglutamic acid dimethyl ester hydrochlorideL-Glutamic acid, 1,5-dimethyl ester, hydrochloride (1:1)185VC5X3PFDimethyl L-2-aminoglutarate HClEINECS 245-461-0NSC-83254Dimethyl L-2-aminoglutarate hydrochloridedimethyl glutamate hydrochlorideL-Glutamic acid, dimethyl ester, hydrochlorideNSC 83254

Show more names

PF-1L-Glutamic Acid Dimethyl Ester HClGlu(Ome)2.HclGLU(OME)-OMEHCLL-Glu(OMe)-OMe·HClH-L-Glu(Me)-OMe*HClL-Glutamic acid dimeDiMethyl-L-GlutaMate

GLUTAMIC ACID, DIMETHYL ESTER, HYDROCHLORIDE, L-RefChem:588279L-Glutamic acid dimethyl ester hydrochlorideH-Glu(OMe)-OMe.HClMFCD00038879H-Glu(OMe)-OMe HCldimethyl (2S)-2-aminopentanedioate;hydrochloride1,5-dimethyl (2S)-2-aminopentanedioate hydrochloride

Database identifiers

CAS: 23150-65-4
PubChem CID: 12917568
ChEMBL: CHEMBL1222010
UNII: 185VC5X3PF
EC Number: 245-461-0

Properties

Computed structural properties

Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 13
Formal charge: 0
Complexity: 169

Physicochemical properties

Melting point: 89 · 89-90°C
alpha: 26 · 26 º (c=5% in H2O)
refractive index: 26 ° · 26 ° (C=5, H2O)
storage temp.: 2 · 2-8°C
solubility: Methanol, Water
form: Powder
color: White
optical activity: 20 · [α]20/D +26.0±1°, c = 5% in H2O
Water Solubility: Soluble in water, methanol (50 mg/ml).
Sensitive: Hygroscopic
BRN: 4238829 · 4238829
Stability: Hygroscopic
Major Application: peptide synthesis
InChI: InChI=1/C7H13NO4.ClH/c1-11-6(9)4-3-5(8)7(10)12-2;/h5H,3-4,8H2,1-2H3;1H/t5-;/s3
InChIKey: MFUPLHQOVIUESQ-JEDNCBNOSA-N
SMILES: [C@@H](N)(C(=O)OC)CCC(=O)OC.Cl |&1:0,r|
CAS DataBase Reference

Safety & regulation

GHS classification

GHS Classification · 4 items

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

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29224999
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

UsesL-Glutamic Acid Dimethyl Ester is a diester analogue of L-Glutamic Acid, a non-essential amino acid. L-Glutamic Acid Dimethyl Ester has been shown to antagonize the effects of morphine sulfate.

UsesL-Glutamic acid dimethyl ester hydrochloride is used as a pharmaceutical intermediate.