tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate

HCID 13053976

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Grundinformationen

CAS: 83056-79-5
Standard-SMILES: CN1C[C@@H](C(=O)OC(C)(C)C)NC1=O
InChIKey: JHSLVEQWBDYFQN-LURJTMIESA-N
Summenformel: C9H16N2O3
Durchschnittliche Molmasse: 200,23 g/mol
Monoisotopische Masse: 200,11609238

Namen und Bezeichner

Bevorzugter Name: tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
IUPAC: tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
Englischer Name: tert-Butyl(4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
Summenformel: C9H16N2O3
Molmasse: 200.24

Namen und Synonyme

83056-79-5(S)-tert-Butyl 1-methyl-2-oxoimidazolidine-4-carboxylatetert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylateMFCD09952527(4S)-1-Methyl-2-oxo-4-imidazolidinecarboxylic Acid, tert-Butyl Estertert-butyl (S)-1-methyl-2-oxoimidazolidine-4-carboxylate4-Imidazolidinecarboxylic acid, 1-methyl-2-oxo-, 1,1-dimethylethyl ester, (4S)-JHSLVEQWBDYFQN-LURJTMIESA-NSCHEMBL5364081(S)-tert-Butyl1-methyl-2-oxoimidazolidine-4-carboxylateDTXSID00516590tert-butyl (4S)-1-methyl-2-oxo-imidazolidine-4-carboxylate

Weitere Namen anzeigen

(4S)-1-Methyl-2-oxo-Imidapril intermediateColesevelam Impurity 10(4S)-1-Methyl-2-oxo-IMidazolidine-TERT-BUTYL(4S)-1-METHYL-2-OXOIMIDAZOLIDI...ERT-BUTYL(4S)-1-METHYL-2-OXOIMIDAZOLIDINE-4-CARt-butyl(S)-1-methyl-2-oxoimidazolidine-4-carboxylate-tert-Butyl 1-methyl-2-oxoimidazolidine-4-carboxylate(S)-(-)-1-Methyl-2-oxoimidazolidine-4-carboxylicacidtert

AKOS015918395CS-W021185AC-25862DS-17498SY114591DB-224863F12031F224191

Datenbank-Bezeichner

CAS: 83056-79-5
PubChem CID: 13053976
DTXSID: DTXSID00516590
EC Number: 806-448-0
Nikkaji: J1.196.642J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 58,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 257

Physikochemische Eigenschaften

Siedepunkt: 347.4 · 347.4±31.0 °C(Predicted)
Dichte: 1.115 · 1.115±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
pka: 12.43 · 12.43±0.40(Predicted)
Aggregatzustand: Solid
Farbe: Off-White
InChI: InChI=1S/C9H16N2O3/c1-9(2,3)14-7(12)6-5-11(4)8(13)10-6/h6H,5H2,1-4H3,(H,10,13)/t6-/m0/s1
InChIKey: JHSLVEQWBDYFQN-LURJTMIESA-N
SMILES: C1(=O)N(C)C[C@@H](C(OC(C)(C)C)=O)N1
CAS Datenbank: 83056 · 83056-79-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 9 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.