Benzeneacetic acid, alpha-amino-2-chloro-, methyl ester, hydrochloride (1:1), (alphaS)-

HCID 24887640

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Grundinformationen

CAS: 213018-92-9
Standard-SMILES: COC(=O)[C@@H](N)c1ccccc1Cl.Cl
InChIKey: SUUNIMMHDPICBD-QRPNPIFTSA-N
Summenformel: C9H11Cl2NO2
Durchschnittliche Molmasse: 236,09 g/mol
Monoisotopische Masse: 235,016684

Namen und Bezeichner

Bevorzugter Name: Benzeneacetic acid, alpha-amino-2-chloro-, methyl ester, hydrochloride (1:1), (alphaS)-
IUPAC: methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride
Englischer Name: (S)-(+)-2-Chlorophenylglycine methyl ester hydrochloride
Summenformel: C9H11Cl2NO2
Molmasse: 236.1

Namen und Synonyme

213018-92-9Benzeneacetic acid, alpha-amino-2-chloro-, methyl ester, hydrochloride (1:1), (alphaS)-RefChem:562910606-736-4(S)-Methyl 2-amino-2-(2-chlorophenyl)acetate hydrochloride(S)-(+)-2-Chlorophenylglycine methyl ester hydrochlorideMFCD07368257methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochlorideL-(+)-2-Chlorophenylglycine methyl ester HClmethyl (S)-2-amino-2-(2-chlorophenyl)acetate hydrochlorideL-(+)-2-chlorophenylglycine methyl ester hydrochlorideMethyl (2S)-2-amino-2-(2-chlorophenyl)acetate hydrochloride

Weitere Namen anzeigen

(S)-Phg(2-Cl)-OMe.HClmethyl (2S)-2-amino-2-(2-chlorophenyl)acetateS-2-Chlorophenylglycine methyl ester hydrochloride (1:1)(S)-(+)-2-CHLOROPHENYLGLYCINE METHYL ESTER HYDROCHLORIDE USP/EP/BP

7TAX9F47Z5SCHEMBL1160122SCHEMBL30832053(S)-Methyl2-amino-2-(2-chlorophenyl)acetatehydrochlorideDTXSID10647829SUUNIMMHDPICBD-QRPNPIFTSA-NAKOS016844243AS-10889

Datenbank-Bezeichner

CAS: 213018-92-9
PubChem CID: 24887640
DTXSID: DTXSID10647829
UNII: 7TAX9F47Z5
EC Number: 606-736-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 186

Physikochemische Eigenschaften

storage temp.: Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.