Ethyl L-phenylalaninate hydrochloride

HCID 165085CAS 3182-93-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCOC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIKey: FPFQPLFYTKMCHN-PPHPATTJSA-N
Summenformel: C11H16ClNO2
Durchschnittliche Molmasse: 229,7 g/mol
Monoisotopische Masse: 229,08695643

Namen und Bezeichner

Bevorzugter Name: Ethyl L-phenylalaninate hydrochloride
IUPAC: ethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride

Namen und Synonyme

3182-93-2Ethyl L-phenylalaninate hydrochlorideL-Phenylalanine, ethyl ester, hydrochlorideEthyl L-phenylalaninate HClEINECS 221-673-9phenylalanine ethyl ester hydrochlorideRefChem:596242221-673-9L-Phenylalanine ethyl ester hydrochlorideH-Phe-OEt.HClMFCD00012507ethyl (2S)-2-amino-3-phenylpropanoate hydrochloride

Weitere Namen anzeigen

H-Phe-OEt HClL-Phenylalanine, ethyl ester, hydrochloride (1:1)ethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride(S)-phenylalanine ethyl ester hydrochlorideH-Phe-OEt . HCl(S)-Ethyl 2-amino-3-phenylpropanoate hydrochloridePhe-OEt.HClL-Phe-OEt.HCl

Datenbank-Bezeichner

CAS: 3182-93-2
PubChem CID: 165085
DTXSID: DTXSID901366793
UNII: 2MK5NR4RG2
EC Number: 221-673-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 15
Formalladung: 0
Komplexität: 176

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.