サルコシンエチル塩酸塩

Ethyl N-methylaminoacetate hydrochloride

HCID 171173

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 52605-49-9
標準SMILES: CCOC(=O)CNC.Cl
InChIKey: NIDZUMSLERGAON-UHFFFAOYSA-N
分子式: C5H12ClNO2
平均分子量: 153.61 g/mol
単同位体質量: 153.0556563

名称と識別子

優先名称: Ethyl N-methylaminoacetate hydrochloride
IUPAC: ethyl 2-(methylamino)acetate;hydrochloride
現地名: サルコシンエチル塩酸塩
英語名: Ethyl sarcosinate hydrochloride
分子式: C5H12ClNO2
分子量: 153.61

名称と別名

Ethyl N-methylaminoacetate hydrochlorideGlycine, N-methyl-, ethyl ester, hydrochlorideEthyl N-methylaminoacetate HClEINECS 258-037-5DTXSID00200588NSC 100148RefChem:596334DTXCID30123079258-037-552605-49-9Sarcosine ethyl ester hydrochlorideEthyl sarcosinate hydrochloride

名称をさらに表示

サルコシンエチルエステル塩酸塩サルコシンエチル塩酸塩(メチルアミノ)酢酸エチル塩酸塩N-メチルグリシンエチル塩酸塩エチルサルコシネート塩酸塩サルコシンエチルエステル塩酸塩N-メチルグリシンエチル・塩酸塩メチルアミノ酢酸エチル・塩酸塩H-SAR-OET·HCLEthyl sarcosinate HCLethyl methylglycinate hydrochlorideSAR-OET HCLH-SAR-OE HCLL-Sar-OEt·HClH-SAR-OET HCL

H-Sar-OEt.Hclethyl 2-(methylamino)acetate hydrochloridesarcosine ethyl ester HClMFCD00012506ethyl 2-(methylamino)acetate;hydrochlorideSCHEMBL394409Ethyl 2-(methylamino)acetate HClsarcosine ethyl ester hydrochloride salt

データベース識別子

CAS: 52605-49-9
PubChem CID: 171173
DTXSID: DTXSID00200588
EC Number: 258-037-5

物性

構造計算による物性

極性表面積: 38.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 9
形式電荷: 0
複雑度: 72.8

実験および物理化学的性質

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

Physical DescriptionWhite hygroscopic crystalline powder; [Acros Organics MSDS]

物理化学的性質

融点: 125 °C · ~125 °C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 2 O: · H2O: 0.1 g/mL、透明
外見: 結晶性粉末
色: ホワイトからオフホワイト
水溶解度: 0.1 g/mLで溶けます。 · 水に0.1g/mLで溶けます。
BRN: 3911182 · 3911182
主な用途: ペプチド合成
InChI: InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H
InChIKey: NIDZUMSLERGAON-UHFFFAOYSA-N
SMILES: C(=O)(OCC)CNC.Cl
CAS データベース: 52605 · 52605-49-9(CAS DataBase Reference)

化学的性質

化学的特性white to off-white crystalline solid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.

Warning

H315 (60%): 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 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25562

Glycine, N-methyl-, ethyl ester, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Sarcosine.

Hazard Classes and CategoriesSkin Irrit. 2 (60%)

安全データ

wgk: 3
hs_code: 29299090
risk_code: 36/37/38
safety_code: 24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用Sarcosine ethyl ester hydrochloride is a metabolite of Sarcosine (S140500), which as been found in starfish and sea urchins. It is used as intermediate in the synthesis of antienzyme agents for toothpaste. Found to be a marker for prostate cancer bioagression.