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HCID 27965Erstellt: 27. Oktober 2026
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
5-methoxy-3-(dimethylaminomethyl)indole · NSC 88885 · methoxygramine · 5-Methoxygramine · TIMTEC-BB SBB003509 · 5-METHOXYGRAMINE 99% · 5-Methoxygramine,99% · 3-ETHYL-1H-PYRAZOL-5-AMINE HCL
https://huagongshe.com/de/chemical/27965
Identifikatoren & physikalische Daten
| CAS No. | 16620-52-3 |
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| Summenformel | C12H16N2O |
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| Durchschnittliche Molmasse | 204,27 g/mol |
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| Monoisotopische Masse | 204,12626313 g/mol |
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| SMILES | COc1ccc2[nH]cc(CN(C)C)c2c1 |
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| InChIKey | GOERTRUXQHDLHC-UHFFFAOYSA-N |
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| PubChem CID | 27965 |
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| ChEMBL | CHEMBL3769622 |
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| EC No. | 240-669-8 |
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| DTXSID | DTXSID30168081 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 28,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 208 |
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| Schmelzpunkt | 123-126 °C (lit.) |
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| Siedepunkt | 342.77°C (rough estimate) |
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| Dichte | 1.0565 (rough estimate) |
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| Brechungsindex | 1.6000 (estimate) |
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| Lagerbedingungen | Refrigerator (+4°C) |
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| pKa (Säurekonstante) | 16.70±0.30(Predicted) |
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| BRN | 170533 |
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| InChI | 1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3 |
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| InChIKey | GOERTRUXQHDLHC-UHFFFAOYSA-N |
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| SMILES | COc1ccc2[nH]cc(CN(C)C)c2c1 |
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| CAS Datenbank | 16620-52-3(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, 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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| F | 10 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29339900 |
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| RTECS-Nr. | NL7700000 |
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| R-Sätze (R) | 34-22 |
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| Toxizität | mouse,LD50,intraperitoneal,130mg/kg (130mg/kg),Psychopharmacologia Vol. 16, Pg. 385, 1970. |
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| Gefahrensymbole | C,Xi |
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| Sicherheitshinweise (S) | 22-24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Verwenden
• ;Reactant for preparation of dopamine D2 receptor antagonists1• ;Reactant for asymmetric preparation of ethenyl(tetrahydro)carbazoledicarboxylates via gold(I)-catalyzed intramolecular Friedel-Crafts allylic alkylation reaction2• ;Reactant for preparation of N-substituted 3-aryl-8-azabicyclo[3.2.1]octan-3-ols as dopamine D2-like receptor ligands3• ;Reactant for preparation of substituted N-trimethoxybenzoyl indoles, indolines, and a tetrahydroquinoline via N-aroylation with trimethoxybenzoyl chloride or anhydride as antitubulin agents4• ;Reactant for preparation of in
