HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methoxyphenethylamin
2-(4-Methoxyphenyl)ethanamine · Methyl Tyramine · o-methyltyramine · P-METHOXYPHENYLETHYLAMINE · 2-(4-METHOXYPHENYL)ETHYLAMINE · 4-MPEA · usafel-52 · USAF el-52
Identifikatoren & physikalische Daten
| CAS No. | 2045-79-6 |
|---|---|
| Summenformel | C9H13NO |
| Durchschnittliche Molmasse | 151,21 g/mol |
| Monoisotopische Masse | 151,09971404 g/mol |
| SMILES | COc1ccc(CCN)cc1 |
| InChIKey | LTPVSOCPYWDIFU-UHFFFAOYSA-N |
| PubChem CID | 4657 |
| ChEMBL | CHEMBL101036 |
| ChEBI | CHEBI:266039 |
| EC No. | 200-245-5 |
| DTXSID | DTXSID6058764 |
| Lokaler Name | p-Methoxyphenethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 97 |
| Kovats Retention Index | 1318.81335.7 |
| Schmelzpunkt | 249-251°C |
| Siedepunkt | 138-140 °C20 mm Hg(lit.) |
| Dichte | 1.031 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.538(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.96±0.10(Predicted) |
| Aggregatzustand | liquid |
| Farbe | light yellow |
| BRN | 508967 |
| InChI | InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3 |
| InChIKey | LTPVSOCPYWDIFU-UHFFFAOYSA-N |
| SMILES | C1(CCN)=CC=C(OC)C=C1 |
| CAS Datenbank | 55-81-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzeneethanamine, 4-methoxy-(55-81-2) |
| EPA chemische Informationen | Benzeneethanamine, 4-methoxy- (55-81-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.9% (1 of 106) of reports.DangerH314 (99.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (38.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 106 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 106 reports by companies.There are 3 notifications provided by 105 of 106 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 30-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/273402-(4-Methoxyphenyl)-ethylamine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1C (99.1%)Eye Dam. 1 (38.7%)Skin Corr. 1B (100%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29222900 |
| RTECS-Nr. | SH7875000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,T |
| hazard_note | Toxic/Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Methoxyphenethylamine an inhibitor of the deamination of tyramine and tryptamine. It is intermediates of ritodrine. ritodrine is an adrenergic β2 receptor agonists used to prevent premature birth.