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HCID 79879Erstellt: 26. Oktober 2026

11-Cyanundecansure

CUA · 11-CYANOUNDECANOIC ACID · 11-Cyano-1-undecanoic acid · Undecanoic acid, 11-cyano-

https://huagongshe.com/de/chemical/79879

Molekülstruktur von 11-Cyanundecansure

Identifikatoren & physikalische Daten

CAS No.5810-18-4
SummenformelC12H21NO2
Durchschnittliche Molmasse211,3 g/mol
Monoisotopische Masse211,15722891 g/mol
SMILESN#CCCCCCCCCCCC(=O)O
InChIKeyYKHZGLKQBYTRHO-UHFFFAOYSA-N
PubChem CID79879
EC No.227-373-4
DTXSIDDTXSID40206827
Lokaler Name11-Cyanundecansure

Chemische & physikalische Eigenschaften

XLogP3,6
Polarare Oberfläche (TPSA)61,1
H-Brücken-Donoren1
H-Brücken-Akzeptoren3
Frei drehbare Bindungen10
Schwere Atome15
Formalladung0
Komplexität205
Schmelzpunkt57 °C
Siedepunkt381.7±15.0 °C(Predicted)
Dichte0.984±0.06 g/cm3(Predicted)
pKa (Säurekonstante)4.78±0.10(Predicted)
InChIInChI=1S/C12H21NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-10H2,(H,14,15)
InChIKeyYKHZGLKQBYTRHO-UHFFFAOYSA-N
SMILESC(O)(=O)CCCCCCCCCCC#N

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (100%)STOT SE 3 (100%)
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302