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HCID 7553Erstellt: 24. Oktober 2026
2,2'-[(Phenylmethyl)imino]bisethanol
BUTTPARK 145\50-27 · benzyldiethanolamine · N-BENZYLDIETHANOLAMINE · 2,2’-(benzylimino)di-ethano · N-Benzyldiethanolamine 95+% · 2,2'-(Benzylimino)diethanol · benzylbis(2-hydroxyethyl)amine · 2,2'-(Benzylimino)bis(ethanol)
https://huagongshe.com/de/chemical/7553
Identifikatoren & physikalische Daten
| CAS No. | 101-32-6 |
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| Summenformel | C11H17NO2 |
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| Durchschnittliche Molmasse | 195,26 g/mol |
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| Monoisotopische Masse | 195,12592878 g/mol |
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| SMILES | OCCN(CCO)Cc1ccccc1 |
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| InChIKey | MIZIOHLLYXVEHJ-UHFFFAOYSA-N |
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| PubChem CID | 7553 |
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| ChEMBL | CHEMBL425114 |
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| EC No. | 202-934-6 |
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| DTXSID | DTXSID50143618 |
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| Lokaler Name | 2,2'-[(Phenylmethyl)imino]bisethanol |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 43,7 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 129 |
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| Schmelzpunkt | 196.5 °C(Solv: benzene (71-43-2)) |
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| Siedepunkt | 226°C(lit.) |
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| Dichte | 1.09 |
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| Brechungsindex | 1.5370 to 1.5410 |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | clear liquid |
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| pKa (Säurekonstante) | 14.39±0.10(Predicted) |
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| Farbe | Colorless to Yellow to Orange |
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| InChI | InChI=1S/C11H17NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2 |
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| InChIKey | MIZIOHLLYXVEHJ-UHFFFAOYSA-N |
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| SMILES | N(CCO)(CCO)CC1=CC=CC=C1 |
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| CAS Datenbank | 101-32-6(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 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 | Acute Tox. 4 (95.1%) |
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| Zollcode | 2922190090 |
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| RTECS-Nr. | KJ7538000 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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