Ethyl 2-(methylamino)-2-oxoacetate

HCID 3413434CAS 18522-95-7

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Grundinformationen

Standard-SMILES: CCOC(=O)C(=O)NC
InChIKey: GVQZKKPQRSZDPW-UHFFFAOYSA-N
Summenformel: C5H9NO3
Durchschnittliche Molmasse: 131,13 g/mol
Monoisotopische Masse: 131,05824315

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-(methylamino)-2-oxoacetate
IUPAC: ethyl 2-(methylamino)-2-oxoacetate
Englischer Name: Ethyl 2-(Methylamino)-2-Oxoacetate
Summenformel: C5H9NO3
Molmasse: 131.13

Namen und Synonyme

ethyl 2-(methylamino)-2-oxoacetate18522-95-7RefChem:594015898-080-2ethyl (methylcarbamoyl)formateethyl N-methyloxamateMFCD02859930Acetic acid, 2-(methylamino)-2-oxo-, ethyl esterethyl (methylamino)(oxo)acetateSCHEMBL259628F2189-0426GVQZKKPQRSZDPW-UHFFFAOYSA-N

Weitere Namen anzeigen

ethyl2-(methylamino)-2-oxoacetateML778R4F58Oxamic acid, methyl-, ethyl esterTAA52295ethyl 2-(methylamino)-2-oxo-acetateAKOS003593775AS-54943SY123697

Datenbank-Bezeichner

CAS: 18522-95-7
PubChem CID: 3413434
UNII: ML778R4F58
EC Number: 898-080-2
Nikkaji: J1.786.656G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 55,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 121

Physikochemische Eigenschaften

Schmelzpunkt: 24 °C · 24 °C
Dichte: 1.088 · 1.088±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
Löslichkeit: Chloroform; Dichloromethane; Ethyl Acetate; Methanol; DMF
pka: 12.77 · 12.77±0.46(Predicted)
Aggregatzustand: Oil
Farbe: Pale brown

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 2 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.