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HCID 226751Erstellt: 26. Oktober 2026

Diethyl (aminomethylidene)propanedioate

Diethyl 2-(aMinoMethylene)Malonate · DIETHYL AMINOMETHYLENE · Diethyl aminomethylenemalonate · ETHYL 3-AMINO-2-CARBETHOXY 2-PROPENOATE · Aminomethylenemalonic acid diethyl ester · diethyl 2-(aminomethylidene)propanedioate · diethyl 2-(azanylmethylidene)propanedioate · 1,3-Diethyl 2-(aminomethylene)propanedioate

https://huagongshe.com/de/chemical/226751

Molekülstruktur von Diethyl (aminomethylidene)propanedioate

Identifikatoren & physikalische Daten

CAS No.6296-99-7
SummenformelC8H13NO4
Durchschnittliche Molmasse187,19 g/mol
Monoisotopische Masse187,0844579 g/mol
SMILESCCOC(=O)C(=CN)C(=O)OCC
InChIKeyWDTWMEZMHUEZKH-UHFFFAOYSA-N
PubChem CID226751
EC No.680-949-0
DTXSIDDTXSID80280580

Chemische & physikalische Eigenschaften

XLogP1
Polarare Oberfläche (TPSA)78,6
H-Brücken-Donoren1
H-Brücken-Akzeptoren5
Frei drehbare Bindungen6
Schwere Atome13
Formalladung0
Komplexität202
Schmelzpunkt56-59°C
Siedepunkt114°C 1mm
Dichte1.136±0.06 g/cm3(Predicted)
Flammpunkt114°C/1mm
Lagerbedingungen2-8°C(protect from light)
pKa (Säurekonstante)2.51±0.70(Predicted)
BRN1708651
InChIInChI=1S/C8H13NO4/c1-3-12-7(10)6(5-9)8(11)13-4-2/h5H,3-4,9H2,1-2H3
InChIKeyWDTWMEZMHUEZKH-UHFFFAOYSA-N
SMILESC(OCC)(=O)/C(=C/N)/C(OCC)=O

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
UN-Transportnummer3335
R-Sätze (R)36/37/38-43
Sicherheitshinweise (S)26-36/37/39