methyl-L-Phenylalaninathydrochlorid

Methyl L-phenylalaninate hydrochloride

HCID 75736CAS 7524-50-7

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Grundinformationen

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

Namen und Bezeichner

Bevorzugter Name: Methyl L-phenylalaninate hydrochloride
IUPAC: methyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
Lokaler Name: methyl-L-Phenylalaninathydrochlorid
Englischer Name: Methyl L-phenylalaninate hydrochloride
Summenformel: C10H14ClNO2
Molmasse: 215.68

Namen und Synonyme

Methyl L-phenylalaninate hydrochlorideMethyl L-phenylalaninate HCl47HK4Y94JAmethyl (2S)-2-amino-3-phenylpropanoate hydrochlorideEINECS 231-383-4phenylalanine methyl ester hydrochlorideMETHYL (S)-PHENYLALANINATE HYDROCHLORIDENSC 194642NSC-194642Phenylalanine hydrochloride methyl esterMETHYL L-PHENYLALANINATE HYDROCHLORIDE, (+)-L-PHENYLALANINE, METHYL ESTER, HYDROCHLORIDE (1:1)

Weitere Namen anzeigen

Phe-OMe.HclH-PHE-OME HCLH-PHE-OME·HCLL-Phe-OMe.HCLL-Phenylalanine methyl ester hydrochloride,98%(S)-Methyl 2-amino-3-phenylpropanoate hydrochlorideH-Phe-OMeClH-L-PHE-OME HCL

(2S)-2-AMINO-3-PHENYLPROPIONIC ACID METHYL ESTER HYDROCHLORIDERefChem:817824231-383-47524-50-7L-Phenylalanine methyl ester hydrochlorideH-Phe-OMe.HClH-Phe-OMe.hydrochlorideMFCD00012489

Datenbank-Bezeichner

CAS: 7524-50-7
PubChem CID: 75736
DTXSID: DTXSID401362891
ChEMBL: CHEMBL1221959
UNII: 47HK4Y94JA
EC Number: 231-383-4

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

Physikochemische Eigenschaften

Schmelzpunkt: 158 · 158-162 °C(lit.)
Brechungsindex: 38 ° · 38 ° (C=2, EtOH)
storage temp.: -20 °C · -20°C
Löslichkeit: It is soluble in methanol. (5mg/ ml-clear colorless solution)
Aggregatzustand: Fine Crystalline Powder
Farbe: White to off-white
BRN: 3597948 · 3597948
InChI: InChI=1/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/s3
InChIKey: SWVMLNPDTIFDDY-OVMXBOEKNA-N
SMILES: C1(C=CC=CC=1)C[C@H](N)C(=O)OC.Cl |&1:7,r|
CAS Datenbank: 7524 · 7524-50-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.