Ethyl-N-methylaminoacetathydrochlorid

Ethyl N-methylaminoacetate hydrochloride

HCID 171173CAS 52605-49-9

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Grundinformationen

Standard-SMILES: CCOC(=O)CNC.Cl
InChIKey: NIDZUMSLERGAON-UHFFFAOYSA-N
Summenformel: C5H12ClNO2
Durchschnittliche Molmasse: 153,61 g/mol
Monoisotopische Masse: 153,0556563

Namen und Bezeichner

Bevorzugter Name: Ethyl N-methylaminoacetate hydrochloride
IUPAC: ethyl 2-(methylamino)acetate;hydrochloride
Lokaler Name: Ethyl-N-methylaminoacetathydrochlorid
Englischer Name: Ethyl sarcosinate hydrochloride
Summenformel: C5H12ClNO2
Molmasse: 153.61

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 72,8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

Physical DescriptionWhite hygroscopic crystalline powder; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 125 °C · ~125 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 2 O: · H2O: 0.1 g/mL, clear
Aggregatzustand: Crystalline Powder
Farbe: White to off-white
Wasserlöslichkeit: 0.1 g/mL · Soluble in water 0.1 g/mL.
BRN: 3911182 · 3911182
Major Application: peptide synthesis
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 Datenbank: 52605 · 52605-49-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheitsdaten

wgk: 3
hs_code: 29299090
risk_code: 36/37/38
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenSarcosine 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.