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HCID 11368235Erstellt: 23. Oktober 2026

Benzyl 3,4-dihydro-4-oxo-pyridine-1(2H)-carboxylate

1-Cbz-2,3-dihydropyridin-4(1H)-one · Benzyl 4-oxo-3,4-dihydropyridine-1(2H) · benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate · Benzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate · Benzyl3,4-dihydro-4-oxo-pyridine-1(2H)-carboxylate · Benzyl 4-oxo-1,2,3,4-tetrahydropyridine-1-carboxylate · 3,4 dihydro-4-oxo-1(2H)-pyridinecarboxylic acid benzyl ester · 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, phenylmethyl ester

https://huagongshe.com/de/chemical/11368235

Molekülstruktur von Benzyl 3,4-dihydro-4-oxo-pyridine-1(2H)-carboxylate

Identifikatoren & physikalische Daten

CAS No.185847-84-1
SummenformelC13H13NO3
Durchschnittliche Molmasse231,25 g/mol
Monoisotopische Masse231,08954328 g/mol
SMILESO=C1C=CN(C(=O)OCc2ccccc2)CC1
InChIKeyOAKHYPNVCUHASC-UHFFFAOYSA-N
PubChem CID11368235
EC No.696-191-9
DTXSIDDTXSID90463761

Chemische & physikalische Eigenschaften

XLogP1,2
Polarare Oberfläche (TPSA)46,6
H-Brücken-Donoren0
H-Brücken-Akzeptoren3
Frei drehbare Bindungen3
Schwere Atome17
Formalladung0
Komplexität319
Schmelzpunkt72-73 °C
Siedepunkt382.2±42.0 °C(Predicted)
Dichte1.245±0.06 g/cm3(Predicted)
Lagerbedingungen2-8°C
Aggregatzustandpowder
pKa (Säurekonstante)-4.31±0.20(Predicted)
FarbeFaint lemon
InChIInChI=1S/C13H13NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2
InChIKeyOAKHYPNVCUHASC-UHFFFAOYSA-N
SMILESC1N(C(OCC2=CC=CC=C2)=O)C=CC(=O)C1

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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