Ethyl 2-carbamoylacetate

HCID 238112

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Grundinformationen

CAS: 7597-56-0
Standard-SMILES: CCOC(=O)CC(N)=O
InChIKey: UVSPVEYCSVXYBB-UHFFFAOYSA-N
Summenformel: C5H9NO3
Durchschnittliche Molmasse: 131,13 g/mol
Monoisotopische Masse: 131,05824315

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-carbamoylacetate
IUPAC: ethyl 3-amino-3-oxopropanoate
Englischer Name: Ethyl carbamoylacetate
Summenformel: C5H9NO3
Molmasse: 131.13

Namen und Synonyme

ethyl 2-carbamoylacetatePropanoic acid, 3-amino-3-oxo-, ethyl esterRefChem:594269867-606-2Ethyl 3-amino-3-oxopropanoate7597-56-0Ethyl malonate monoamideEthyl carbamoylacetateethyl malonamateMFCD00043150Monoethylmalonate monoamideethoxycarbo nylacetamide

Weitere Namen anzeigen

Ethyl malonamate.ETHYL AMIDOMALONATE2-(ethylcarbaMoyl)acetateEthyl 3-amino-3-oxopropanoate 98%3-amino-3-oxopropanoic acid ethyl ester

Mono-ethylmalonate monoamideDTXSID502855622-carbamoyl-acetic acid ethyl esterEthyl 3-amino-3-oxo-propanoateAMY2619Ethyl 3-Amino-3-oxopropanoate; Ethoxycarbonylacetamide; Ethyl Aminocarbonylacetate; Ethyl Carbamoylacetatealpha-carbetoxyacetamideEthyl 3-amino-3-oxopro

Datenbank-Bezeichner

CAS: 7597-56-0
PubChem CID: 238112
DTXSID: DTXSID50285562
EC Number: 867-606-2
Nikkaji: J963.257C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 69,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 121

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-50 °C
Siedepunkt: 265.6 · 265.6±23.0 °C(Predicted)
Dichte: 1.136 · 1.136±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 13.53 · 13.53±0.46(Predicted)
Farbe: White to Off-White
BRN: 1758870 · 1758870
InChIKey: UVSPVEYCSVXYBB-UHFFFAOYSA-N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationPropanoic acid, 3-amino-3-oxo-, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)