(S)-(-)-2-Oxo-1,5-imidazolidinedicarboxylic acid 1-benzyl ester

HCID 688196

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Grundinformationen

CAS: 59760-01-9
Standard-SMILES: O=C(O)[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1
InChIKey: AYSUEIZKNBGWGN-VIFPVBQESA-N
Summenformel: C12H12N2O5
Durchschnittliche Molmasse: 264,23 g/mol
Monoisotopische Masse: 264,07462149

Namen und Bezeichner

Bevorzugter Name: (S)-(-)-2-Oxo-1,5-imidazolidinedicarboxylic acid 1-benzyl ester
IUPAC: (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid
Englischer Name: (S)-(-)-2-Oxo-1,5-imidazolidinedicarboxylic acid 1-benzyl ester
Summenformel: C12H12N2O5
Molmasse: 264.23

Namen und Synonyme

(S)-(-)-2-Oxo-1,5-imidazolidinedicarboxylic acid 1-benzyl esterRefChem:407688625-983-959760-01-9(S)-3-((Benzyloxy)carbonyl)-2-oxoimidazolidine-4-carboxylic acidMFCD00192373(4S)-3-[(benzyloxy)carbonyl]-2-oxoimidazolidine-4-carboxylic acid(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acidSCHEMBL464281(S)-3-((Benzyloxy)carbonyl)-2-oxoimidazolidine-4-carboxylicacid(S)-3-(benzyloxycarbonyl)-2-oxoimidazolidine-4-carboxylic acid(S)-2-OXO-IMIDAZOLIDINE-1,5-DICARBOXYLIC ACID 1-BENZYL ESTER

Weitere Namen anzeigen

Imidaprilat Impurity 17(S)-(-)-1-Z-2-Oxo-5-iMidazolidinecarboxylic acid(4S)-3-Cbz-2-oxo-Imidazolidine-4-carboxylic acid(S)-()-1-Cbz-2-Oxo-5-iMidazolidinecarboxylic acid(S)-(-)-2-oxo-1,5-imidazolidine-dicarboxylic acid(S)-(-)-1-Z-2-Oxo-5-imidazolidinecarboxylic acid 98%(S)-(?)-1-Z-2-Oxo-5-imidazolidinecarboxylic acid2-oxo-1,5-imidazolidinedicarboxylic acid, 1-benzyl ester

(S)-3-CBZ-2-Oxo-imidazolidine-4-carboxylic acidAS-71703(4S)-3-benzyloxycarbonyl-2-oxo-imidazolidine-4-carboxylic acid1,5-Imidazolidinedicarboxylic acid, 2-oxo-, 1-(phenylmethyl) ester, (5S)-(S)-(-)-1-Z-2-Oxo-5-imidazolidinecarboxylic acid, 98%(4S)-2-oxo-3-{[(phenylmethyl)oxy]carbonyl}-4-imidazolidinecarboxylic acidDTXSID70350827AYSUEIZKNBGWGN-VIFPVBQESA-N

Datenbank-Bezeichner

CAS: 59760-01-9
PubChem CID: 688196
DTXSID: DTXSID70350827
EC Number: 625-983-9
Nikkaji: J1.629.517E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 95,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 19
Formalladung: 0
Komplexität: 378

Physikochemische Eigenschaften

Schmelzpunkt: 189 °C · 189 °C (dec.)(lit.)
Dichte: 1.444 · 1.444±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.22 · 3.22±0.20(Predicted)
InChI: 1S/C12H12N2O5/c15-10(16)9-6-13-11(17)14(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKey: AYSUEIZKNBGWGN-VIFPVBQESA-N
SMILES: OC(=O)[C@@H]1CNC(=O)N1C(=O)OCc2ccccc2

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 39 reports by companies from 2 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.