グルタミン酸ジエチル

Glutamic acid diethyl ester

HCID 73961

ノート反応

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基本情報

CAS: 16450-41-2
標準SMILES: CCOC(=O)CC[C@H](N)C(=O)OCC
InChIKey: HERPVHLYIHBEFW-ZETCQYMHSA-N
分子式: C9H17NO4
平均分子量: 203.24 g/mol
単同位体質量: 203.11575802

概要

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

名称と識別子

優先名称: Glutamic acid diethyl ester
IUPAC: diethyl (2S)-2-aminopentanedioate
現地名: グルタミン酸ジエチル
英語名: Diethyl glutamate
分子式: C9H17NO4
分子量: 203.24

名称と別名

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

名称をさらに表示

L-グルタミン酸ジエチルグルタミン酸ジエチル(S)-2-アミノグルタル酸ジエチル(2S)-2-アミノグルタル酸ジエチル1,5-ジエチル (2S)-2-アミノペンタンジオアート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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.2
極性表面積: 78.6 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 8
重原子数: 14
形式電荷: 0
複雑度: 193

実験および物理化学的性質

CosmeticsAntistatic; Hair conditioning

物理化学的性質

融点: 114 · 114-116 °C
沸点: 120 · 120-123 °C(Press: 7 Torr)
比重(密度): 1.08 · 1.080±0.06 g/cm3(Predicted)
酸解離定数(Pka): 7.12 · 7.12±0.35(Predicted)
化粧品成分の機能: ヘアコンディショニングスキンコンディショニング帯電防止

化学的性質 · 1 件

化学的特性Diethyl glutamate is a viscous liquid. B,P. 239° C. Very soluble in water, soluble in alcohol and most perfume oils. Very faint, winey-ethereal odor. In high concentration somewhat bitter taste, in weaker solutions rather sweet, bland, nondescript taste.

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

化学と産業

薬理情報

MeSH Pharmacological Classification · 3 件

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.

用途と製造

Use ClassificationCosmetics -> Antistatic; Hair conditioning

応用分野 · 1 件

使用Diethyl 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.