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Benzo-1,3-dioxol-5-methylamin
BENZO[D][1,3]DIOXOL-5-YLMETHANAMINE · 3,4-METHYLENEDIOXYBENZYLAMINE · benzo-1,3-dioxole-5-methylamine · LABOTEST-BB LTBB000693 · NSC 75851 · PIPERONYLAMINE · AKOS BBS-00003588 · BUTTPARK 98\04-02
Identifikatoren & physikalische Daten
| CAS No. | 2620-50-0 |
|---|---|
| Summenformel | C8H9NO2 |
| Durchschnittliche Molmasse | 151,16 g/mol |
| Monoisotopische Masse | 151,06332853 g/mol |
| SMILES | NCc1ccc2c(c1)OCO2 |
| InChIKey | ZILSBZLQGRBMOR-UHFFFAOYSA-N |
| PubChem CID | 75799 |
| EC No. | 220-056-1 |
| DTXSID | DTXSID00180836 |
| Lokaler Name | Benzo-1,3-dioxol-5-methylamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 140 |
| Siedepunkt | 138-139 °C13 mm Hg(lit.) |
| Dichte | 1.214 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.564(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.40±0.40(Predicted) |
| Farbe | Clear yellow |
| Wichte | 1.22 |
| Löslichkeit | 0.9 g/100 mL |
| BRN | 136996 |
| InChI | 1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2 |
| InChIKey | ZILSBZLQGRBMOR-UHFFFAOYSA-N |
| SMILES | NCc1ccc2OCOc2c1 |
| LogP (Verteilungskoeffizient) | 0.950 (est) |
| CAS Datenbank | 2620-50-0(CAS DataBase Reference) |
| NIST chemische Informationen | Piperonylamine(2620-50-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.DangerH314 (11.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (11.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2735 |
| Zollcode | 29329900 |
| R-Sätze (R) | 36/37/38-34 |
| Gefahrensymbole | Xi,C |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-28A-23 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Piperonylamine is a metabolite of dopamine analogs.