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HCID 589729Erstellt: 27. Oktober 2026
1',3'-Dihydrospiro(cyclohexane-1,2'-(2H)imidazo(4,5-b)pyridine)
TIMTEC-BB SBB000278 · LABOTEST-BB LT00053185 · 1',3'-dihydrospiro(cyclohexane-1,2'-(2H)-imidazo( · dihydrospiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine · 1',3'-Dihydrospiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine] · Spiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine], 1',3'-dihydro- · 1′,3′-Dihydrospiro[cyclohexane-1,2′-[2H]imidazo[4,5-b]pyridine] · 1′,3′-Dihydrospiro[cyclohexane-1,2′-[2H]imidazo[4,5-b]pyridine], CAS 76902-24-4
https://huagongshe.com/de/chemical/589729
Identifikatoren & physikalische Daten
| CAS No. | 76902-24-4 |
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| Summenformel | C11H15N3 |
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| Durchschnittliche Molmasse | 189,26 g/mol |
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| Monoisotopische Masse | 189,12659748 g/mol |
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| SMILES | c1cnc2c(c1)NC1(CCCCC1)N2 |
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| InChIKey | OUKQLJBANRHVIM-UHFFFAOYSA-N |
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| PubChem CID | 589729 |
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| EC No. | 623-178-7 |
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| DTXSID | DTXSID50343439 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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| Polarare Oberfläche (TPSA) | 37 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 211 |
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| Schmelzpunkt | 216-220 °C(lit.) |
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| Siedepunkt | 456.1±38.0 °C(predicted) |
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| Dichte | 1.31±0.1 g/cm3(Temp: 20 °CPress: 760 Torr)(predicted) |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 15.39±0.20(predicted) |
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| InChI | 1S/C11H15N3/c1-2-6-11(7-3-1)13-9-5-4-8-12-10(9)14-11/h4-5,8,13H,1-3,6-7H2,(H,12,14) |
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| InChIKey | OUKQLJBANRHVIM-UHFFFAOYSA-N |
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| SMILES | C1CCC2(CC1)Nc3cccnc3N2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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)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. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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