HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 1237Erstellt: 29. Oktober 2026
(+-)-Normetanephrine
Normetadrenaline · Normetadrenalin · (-Normetanephrine · O-Methylnoradrenaline · m-O-Methylnorepinephrine · a-(Aminomethyl)-vanillyl Alcohol · 3-Methoxy-4,b-dihydroxyphenylethylamine · 4-(2-amino-1-hydroxy-ethyl)-2-methoxy-phenol
https://huagongshe.com/de/chemical/1237
Identifikatoren & physikalische Daten
| CAS No. | 97-31-4 |
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| Summenformel | C9H13NO3 |
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| Durchschnittliche Molmasse | 183,2 g/mol |
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| Monoisotopische Masse | 183,08954328 g/mol |
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| SMILES | COc1cc(C(O)CN)ccc1O |
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| InChIKey | YNYAYWLBAHXHLL-UHFFFAOYSA-N |
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| PubChem CID | 1237 |
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| ChEMBL | CHEMBL774 |
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| ChEBI | CHEBI:89951 |
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| EC No. | 959-440-5 |
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| DTXSID | DTXSID70861701 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
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| Polarare Oberfläche (TPSA) | 75,7 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 154 |
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| LogP (Verteilungskoeffizient) | -1.05 |
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| Schmelzpunkt | 204 °CHCl salt: 206-207, decomposition |
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| Physical Description | Solid |
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| Ionization Efficiency | Positive1.542.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
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| Collision Cross Section | 155 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]155.4 Ų [M+Na]+ |
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| Siedepunkt | 393.8±42.0 °C(Predicted) |
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| Dichte | 1.249±0.06 g/cm3(Predicted) |
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| Löslichkeit | Water (easy), ethanol (soluble) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 10.02±0.31(Predicted) |
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| Farbe | White to off-white |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 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 (100%) |
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