HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methylbenzylamin
o-TolylMethanaMine · o-xylylamine · Benzenemethanamine, 2-methyl- · O-METHYLBENZYLAMINE · (2-Methylphenyl)methanamine · NSC 30466 · WLN: Z1R B1 · 2-Xylylamine
Identifikatoren & physikalische Daten
| CAS No. | 89-93-0 |
|---|---|
| Summenformel | C8H11N |
| Durchschnittliche Molmasse | 121,18 g/mol |
| Monoisotopische Masse | 121,08914935 g/mol |
| SMILES | Cc1ccccc1CN |
| InChIKey | CJAAPVQEZPAQNI-UHFFFAOYSA-N |
| PubChem CID | 6993 |
| ChEMBL | CHEMBL268246 |
| EC No. | 201-952-1 |
| DTXSID | DTXSID3059000 |
| Lokaler Name | 2-Methylbenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 80,6 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | Optical coefficient |
| LogP (Verteilungskoeffizient) | 1.62 |
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -30°C |
| Siedepunkt | 199 °C(lit.) |
| Dichte | 0.977 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.544(lit.) |
| Flammpunkt | 183 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.24±0.10(Predicted) |
| Wichte | 0.98 |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | Very soluble in water. |
| BRN | 1099406 |
| InChI | 1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3 |
| InChIKey | CJAAPVQEZPAQNI-UHFFFAOYSA-N |
| SMILES | Cc1ccccc1CN |
| CAS Datenbank | 89-93-0(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, 2-methyl-(89-93-0) |
| EPA chemische Informationen | Benzenemethanamine, 2-methyl- (89-93-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | Intravenous LD50 (mouse) = 56 mg/kg[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] See alpha-Methylbenzylamine. See o-Toluidine. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29214990 |
| RTECS-Nr. | DP5800000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Methylbenzylamine is a methylated benzylamine used in the preparation of various bioactive compounds such as anticonvulsants and antiviral agents.