methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride

HCID 11481330

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Grundinformationen

CAS: 13033-84-6
Standard-SMILES: COC(=O)[C@H](N)Cc1ccccc1.Cl
InChIKey: SWVMLNPDTIFDDY-SBSPUUFOSA-N
Summenformel: C10H14ClNO2
Durchschnittliche Molmasse: 215,67 g/mol
Monoisotopische Masse: 215,07130637

Namen und Bezeichner

Bevorzugter Name: methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride
IUPAC: methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride

Namen und Synonyme

D-Phenylalanine, methyl ester, hydrochloridemethyl (2R)-2-amino-3-phenylpropanoate;hydrochlorideRefChem:812049METHYL (2R)-2-AMINO-3-PHENYLPROPANOATE HYDROCHLORIDED-Phenylalanine, methyl ester, hydrochloride (1:1)603-406-1945-660-913033-84-6D-Phenylalanine methyl ester hydrochlorideH-D-Phe-OMe.HCl(R)-Methyl 2-amino-3-phenylpropanoate hydrochlorideD-Phenylalanine methyl ester HCl

Weitere Namen anzeigen

D-Phe-OMe monohydrochlorideMFCD00066112Methyl D-Phenylalaninate Hydrochloride(R)-Phenylalanine Methyl Ester Hydrochloride[(2R)-1-Methoxy-1-oxo-3-phenylpropan-2-yl]azanium;chlorideH-D-Phe-OMe HClD-PheC1ClD-Phe-OMe-HCl

Datenbank-Bezeichner

CAS: 13033-84-6
PubChem CID: 11481330
DTXSID: DTXSID40467254
UNII: EL9Z2VT355
EC Number: 603-406-1、945-660-9

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 14
Formalladung: 0
Komplexität: 164

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (2 of 6) of reports.

Warning

H315 (66.7%): 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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Status: Active Update: 29-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23702

Status: Active Update: 16-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30259

D-Phenylalanine, methyl ester, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified