Glutamic acid diethyl ester

HCID 73961CAS 16450-41-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCOC(=O)CC[C@H](N)C(=O)OCC
InChIKey: HERPVHLYIHBEFW-ZETCQYMHSA-N
Summenformel: C9H17NO4
Durchschnittliche Molmasse: 203,24 g/mol
Monoisotopische Masse: 203,11575802

Überblick

glutamic acid antagonist; RN given refers to (L)-isomer

Namen und Bezeichner

Bevorzugter Name: Glutamic acid diethyl ester
IUPAC: diethyl (2S)-2-aminopentanedioate
Englischer Name: Diethyl glutamate
Summenformel: C9H17NO4
Molmasse: 203.24

Namen und Synonyme

Glutamic acid diethyl ester16450-41-2Glutamyl diethyl esterL-Glutamate diethylester54QM1L3N85DTXSID90167772RefChem:587226DTXCID4090263Diethyl L-glutamateDiethyl glutamateL-GLUTAMIC ACID DIETHYL ESTERL-Glutamic acid, diethyl ester

Weitere Namen anzeigen

Diethyll-glutamateGlutamic acid diethylGLUTAMATEDIETHYLESTERL-Glutamic acid diethylDIETHYL GLUTAMATE USP/EP/BPiethyl(2S)-2-aminopentanedioate(S)-2-Aminoglutaric acid diethyl

(S)-DIETHYL 2-AMINOPENTANEDIOATEdiethyl (2S)-2-aminopentanedioateGlutamic acid, diethyl esterGlutamic acid, diethyl ester, L-L-Glutamic acid, 1,5-diethyl ester.alpha.,.gamma.-Diethyl glutamateL-Glutamic acid .alpha.,.gamma.-diethyl esterUNII-54QM1L3N85

Datenbank-Bezeichner

CAS: 16450-41-2、55895-85-7
PubChem CID: 73961
DTXSID: DTXSID90167772
UNII: 54QM1L3N85
EC Number: 637-244-8
Nikkaji: J60.792D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 78,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 8
Schwere Atome: 14
Formalladung: 0
Komplexität: 193

Experimentelle und physikochemische Eigenschaften

CosmeticsAntistatic; Hair conditioning

Physikochemische Eigenschaften

Schmelzpunkt: 114 · 114-116 °C
Siedepunkt: 120 · 120-123 °C(Press: 7 Torr)
Dichte: 1.08 · 1.080±0.06 g/cm3(Predicted)
pka: 7.12 · 7.12±0.35(Predicted)
Kosmetik-Inhaltsstoffe Funktionen: HAIR CONDITIONINGSKIN CONDITIONINGANTISTATIC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 3 Einträge

Drugs used to prevent SEIZURES or reduce their severity.

A loosely defined grouping of drugs that have effects on psychological function. Here the psychotropic agents include the antidepressive agents, hallucinogens, and tranquilizing agents (including the antipsychotics and anti-anxiety agents).

Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.

Verwendung und Herstellung

Use ClassificationCosmetics -> Antistatic; Hair conditioning

Anwendungen · 1 Eintrag

VerwendenDiethyl glutamate has been attributed synergistic effect upon fragrance mixtures (perfume compositions, etc.). A French patent covers its use as a fragrance-enhancing additive, but experiments seem to confirm that the material is not a universal synergist.