HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 118929Erstellt: 27. Oktober 2026
(3-Pyridylmethyl)harnstoff
(3-pyridylmethyl)urea · (3-pyridinylmethyl)-ure · (3-Pyridinylmethyl)urea · Urea, (3-pyridinylmethyl)- · 1-(3-Pyridylmethyl)urea, 98 · 1-[(Pyridin-3-yl)methyl]urea · Urea, N-(3-pyridinylmethyl)- · 3-[(Carbamoylamino)methyl]pyridine, 3-(Ureidomethyl)pyridine
https://huagongshe.com/de/chemical/118929
Identifikatoren & physikalische Daten
| CAS No. | 36226-32-1 |
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| Summenformel | C7H9N3O |
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| Durchschnittliche Molmasse | 151,17 g/mol |
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| Monoisotopische Masse | 151,07456191 g/mol |
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| SMILES | NC(=O)NCc1cccnc1 |
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| InChIKey | PWHUPFOHNXWYSH-UHFFFAOYSA-N |
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| PubChem CID | 118929 |
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| ChEMBL | CHEMBL1380001 |
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| EC No. | 252-928-2 |
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| DTXSID | DTXSID1067960 |
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| Lokaler Name | (3-Pyridylmethyl)harnstoff |
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Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
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| Polarare Oberfläche (TPSA) | 68 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 138 |
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| Schmelzpunkt | 181-183 °C(lit.) |
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| Siedepunkt | 321.3±34.0 °C(Predicted) |
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| Dichte | 1.208±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 12.99±0.46(Predicted) |
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| EPA chemische Informationen | Urea, (3-pyridinylmethyl)- (36226-32-1) |
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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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| Regulatorische Informationen | Urea, (3-pyridinylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2933399990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Gefahrenklasse | IRRITANT |
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