Methyl 3-phenyl-DL-alaninate hydrochloride

HCID 3084017CAS 5619-07-8

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Grundinformationen

Standard-SMILES: COC(=O)C(N)Cc1ccccc1.Cl
InChIKey: SWVMLNPDTIFDDY-UHFFFAOYSA-N
Summenformel: C10H14ClNO2
Durchschnittliche Molmasse: 215,67 g/mol
Monoisotopische Masse: 215,07130637

Namen und Bezeichner

Bevorzugter Name: Methyl 3-phenyl-DL-alaninate hydrochloride
IUPAC: methyl 2-amino-3-phenylpropanoate;hydrochloride

Namen und Synonyme

5619-07-8Methyl 3-phenyl-DL-alaninate HClEINECS 227-049-2Methyl 3-phenyl-DL-alaninate hydrochloridePhenylalanine, methyl ester, hydrochloride (1:1)RefChem:815636227-049-2DL-Phenylalanine methyl ester hydrochloridemethyl 2-amino-3-phenylpropanoate hydrochlorideH-DL-Phe-OMe.HClMFCD00066113DL-phenylalanine methyl ester, HCl

Weitere Namen anzeigen

methyl 2-amino-3-phenylpropanoate;hydrochlorideMethyl DL-phenylalaninate hydrochlorideF2147-0643H-Phe-OMe . HClH-DL-Phe-OMe . HCl(+/-)-phenylalanine methyl ester hydrochloride3HZ8P6WR8HSCHEMBL136408

Datenbank-Bezeichner

CAS: 5619-07-8、7524-50-7
PubChem CID: 3084017
DTXSID: DTXSID801371284
UNII: 3HZ8P6WR8H
EC Number: 227-049-2

Eigenschaften

Berechnete Struktureigenschaften

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 · 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 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.