2-Oxo-1-phenylpyrrolidine-3-carboxylic acid

HCID 3043762

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Grundinformationen

CAS: 56137-52-1
Standard-SMILES: O=C(O)C1CCN(c2ccccc2)C1=O
InChIKey: KIXWRXJXMVUWCP-UHFFFAOYSA-N
Summenformel: C11H11NO3
Durchschnittliche Molmasse: 205,21 g/mol
Monoisotopische Masse: 205,07389321

Namen und Bezeichner

Bevorzugter Name: 2-Oxo-1-phenylpyrrolidine-3-carboxylic acid
IUPAC: 2-oxo-1-phenylpyrrolidine-3-carboxylic acid
Englischer Name: 1-Phenyl-2-oxo-3-pyrrolidinecarboxylic
Summenformel: C11H11NO3
Molmasse: 205.21

Namen und Synonyme

2-oxo-1-phenylpyrrolidine-3-carboxylic acid2-Oxo-1-phenyl-3-pyrrolidinecarboxylic acidBRN 01890063-Pyrrolidinecarboxylic acid, 2-oxo-1-phenyl-DTXSID609715055-22-06-00034 (Beilstein Handbook Reference)RefChem:477655DTXCID801399016624-100-456137-52-11-Phenyl-2-oxo-3-pyrrolidinecarboxylic acidMFCD01688147

Weitere Namen anzeigen

2-oxo-1-phenyl-3-pyrrolidinecarboxylicaci1-PHENYL-2-OXO-3-PYRROLIDINE CARBOLIC ACID1-Phenyl-2-oxo-3-pyrrolidinecarboxylic acid 95%JR-6448, 2-oxo-1-Phenylpyrrolidine-3-carboxylic acid, 97%

1-PHENYL-2-OXO-3-PYRROLIDINECARBOXYLICSCHEMBL308869AKOS000169771CS-02617912-oxo-1-phenyl-pyrrolidine-3-carboxylic acid1-Phenyl-2-oxo-3-pyrrolidinecarboxylic acid, 95%FT-06578773-Pyrrolidinecarboxylicacid, 2-oxo-1-phenyl-

Datenbank-Bezeichner

CAS: 56137-52-1
PubChem CID: 3043762
DTXSID: DTXSID60971505
EC Number: 624-100-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 57,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 271

Physikochemische Eigenschaften

Schmelzpunkt: 142 · 142-146 °C(lit.)
InChI: 1S/C11H11NO3/c13-10-9(11(14)15)6-7-12(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)
InChIKey: KIXWRXJXMVUWCP-UHFFFAOYSA-N
SMILES: OC(=O)C1CCN(C1=O)c2ccccc2

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 41 reports by companies from 4 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.