HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 12374766Erstellt: 1. November 2026
3-isothiocyanato-N-methylpropanamide
3-Isothiocyanato-N-methylpropanamide · Propanamide, 3-isothiocyanato-N-methyl-
https://huagongshe.com/de/chemical/12374766
Identifikatoren & physikalische Daten
| CAS No. | 63767-54-4 |
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| Summenformel | C5H8N2OS |
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| Durchschnittliche Molmasse | 144,2 g/mol |
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| Monoisotopische Masse | 144,03573406 g/mol |
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| SMILES | CNC(=O)CCN=C=S |
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| InChIKey | NRIYQKLSBVXOSA-UHFFFAOYSA-N |
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| PubChem CID | 12374766 |
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| EC No. | 997-085-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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| Polarare Oberfläche (TPSA) | 73,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 140 |
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| Siedepunkt | 150 °C(Press: 0.2 Torr) |
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| Dichte | 1.13±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 15.75±0.46(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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