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HCID 98821Erstellt: 26. Oktober 2026
3-Pyridyldimethylcarbamat
PDMC · norpyridostigmine · 3-Pyridyl dimethylca · Neostigmine Impurity 17 · Pyridostigmine Impurity 1 · 3-Pyridyl dimethylcarbamate · Bromoprasidamine Impurity A · Pyridostigmine EP Impurity A
https://huagongshe.com/de/chemical/98821
Identifikatoren & physikalische Daten
| CAS No. | 51581-32-9 |
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| Summenformel | C8H10N2O2 |
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| Durchschnittliche Molmasse | 166,18 g/mol |
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| Monoisotopische Masse | 166,07422756 g/mol |
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| SMILES | CN(C)C(=O)Oc1cccnc1 |
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| InChIKey | VZELUFSMNDBCBO-UHFFFAOYSA-N |
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| PubChem CID | 98821 |
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| ChEMBL | CHEMBL2288686 |
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| EC No. | 257-297-7 |
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| DTXSID | DTXSID10199535 |
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| Lokaler Name | 3-Pyridyldimethylcarbamat |
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Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
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| Polarare Oberfläche (TPSA) | 42,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 159 |
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| Siedepunkt | 149 °C(Press: 15 Torr) |
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| Dichte | 1.153±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
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| pKa (Säurekonstante) | 3.83±0.10(Predicted) |
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| Hauptanwendungen | pharmaceutical (small molecule) |
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| InChI | 1S/C8H10N2O2/c1-10(2)8(11)12-7-4-3-5-9-6-7/h3-6H,1-2H3 |
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| InChIKey | VZELUFSMNDBCBO-UHFFFAOYSA-N |
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| SMILES | N(C)(C)C(=O)Oc1cnccc1 |
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| LogP (Verteilungskoeffizient) | 0.39 at 20℃ |
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| CAS Datenbank | 51581-32-9(CAS DataBase Reference) |
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| NIST chemische Informationen | Carbamic acid, dimethyl-, 3-pyridinyl ester(51581-32-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.DangerH300 (14.3%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 25-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21055 |
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| Hazard Classes and Categories | Acute Tox. 2 (14.3%) |
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| Wassergefährdungsklasse (WGK) | WGK 1 |
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| UN-Transportnummer | UN 2810 6.1 / PGIII |
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| Zollcode | 2933399090 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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| Gefahrenklasse | Acute Tox. 3 OralEye Irrit. 2 |
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