Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 10219621Erstellt: 26. Oktober 2026

1-Phenethylimidazole

1-Phenethylimidazole · Phenethylimidazole · benzenethylimidazole · Alcaftadine Impurity 8 · 1-Phenethylimidazole>1-(Phenylethyl)imidazole · 1-phenethyl-1H-imidazole · 1-Benzene Ethyl Imidazole · 1-(2-Phenylethyl)-1H-imidazole

https://huagongshe.com/de/chemical/10219621

Molekülstruktur von 1-Phenethylimidazole

Identifikatoren & physikalische Daten

CAS No.49823-14-5
SummenformelC11H12N2
Durchschnittliche Molmasse172,23 g/mol
Monoisotopische Masse172,10004839 g/mol
SMILESc1ccc(CCn2ccnc2)cc1
InChIKeySSENHTOBLYRWKU-UHFFFAOYSA-N
PubChem CID10219621
ChEMBLCHEMBL385589
EC No.805-891-7
DTXSIDDTXSID60436861

Chemische & physikalische Eigenschaften

XLogP1,9
Polarare Oberfläche (TPSA)17,8
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen3
Schwere Atome13
Formalladung0
Komplexität141
Schmelzpunkt32.0 to 36.0 °C
Siedepunkt145°C/0.2mmHg(lit.)
Dichte1.02
LagerbedingungenInert atmosphere,Room Temperature
Löslichkeitsoluble in Methanol
Aggregatzustandpowder to lump
pKa (Säurekonstante)7.04±0.10(Predicted)
FarbeWhite to Light yellow
InChIInChI=1S/C11H12N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-5,7,9-10H,6,8H2
InChIKeySSENHTOBLYRWKU-UHFFFAOYSA-N
SMILESC1N(CCC2=CC=CC=C2)C=CN=1

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)Eye Irrit. 2 (100%)
Zollcode2933299090

Anwendungen & Verwendung

Verwenden

1-Phenethylimidazole, is a N-substituted imidazole derivative, which has been shown to act as an inhibitor of nitric oxide synthase.