HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methoxybenzylamin
(3-Methoxyphenyl)methanamine · 3-Ketobutanol · JB061 · NSC 162042 · Methoxybenzylamine · RARECHEM AL BW 0160 · 3-Methoxybezylamine · 3-methoxybenzyamine
Identifikatoren & physikalische Daten
| CAS No. | 5071-96-5 |
|---|---|
| Summenformel | C8H11NO |
| Durchschnittliche Molmasse | 137,18 g/mol |
| Monoisotopische Masse | 137,08406397 g/mol |
| SMILES | COc1cccc(CN)c1 |
| InChIKey | GRRIMVWABNHKBX-UHFFFAOYSA-N |
| PubChem CID | 21156 |
| ChEMBL | CHEMBL468622 |
| EC No. | 225-779-6 |
| DTXSID | DTXSID10198765 |
| Lokaler Name | 3-Methoxybenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 95,3 |
| Siedepunkt | 140 °C/37 mmHg (lit.) |
| Dichte | 1.072 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.547(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 9.03±0.10(Predicted) |
| Wichte | 1.0720 |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Slightly soluble in water. |
| BRN | 1447182 |
| InChI | InChI=1S/C8H11NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3 |
| InChIKey | GRRIMVWABNHKBX-UHFFFAOYSA-N |
| SMILES | C1(CN)=CC=CC(OC)=C1 |
| CAS Datenbank | 5071-96-5(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Methoxybenzylamine(5071-96-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (87.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29222990 |
| RTECS-Nr. | DP5550000 |
| R-Sätze (R) | 36/37/38-20/21/22-22 |
| Gefahrensymbole | Xi,C,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-45-36/37/39 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Methoxybenzylamine is a 3-methoxy derivative of benzylamine. 3-Methoxybenzylamine is one the the metabolites detected in urine after metabolism of dopamine analogues. 3-Methoxybenzylamine showed pla smin inhibitory activity as well as weak inhibition of the essential bacterial cell division protein FtsZ