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L-α-Methylbenzylamin
(S)-1-phenylethan-1-amine · (S)-1-PHENYLETHYLAMINE · (S)-(-)-1-PHENYLETHYLAMINE · (S)-1-PHENYLETHANAMINE · (1S)-1-Phenylethanamine · L-ALPHA-METHYLBENZYLAMINE · (S)-(-)-α-Methylbenzylamine · (S)-(-)-ALPHA-METHYLBENZYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 2627-86-3 |
|---|---|
| Summenformel | C8H11N |
| Durchschnittliche Molmasse | 121,18 g/mol |
| Monoisotopische Masse | 121,08914935 g/mol |
| SMILES | C[C@H](N)c1ccccc1 |
| InChIKey | RQEUFEKYXDPUSK-ZETCQYMHSA-N |
| PubChem CID | 75818 |
| ChEMBL | CHEMBL282700 |
| ChEBI | CHEBI:35321 |
| EC No. | 220-098-0 |
| DTXSID | DTXSID701014613 |
| Lokaler Name | L-α-Methylbenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 74,6 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| Dampfdruck | 0.5 [mmHg]0.5 mm Hg ( 20 °C) |
| Physical Description | Colorless hygroscopic liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -10 °C |
| Siedepunkt | 187 °C(lit.) |
| Dichte | 0.94 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.526(lit.) |
| Flammpunkt | 175 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | 42g/lslightly soluble |
| pKa (Säurekonstante) | 9.04±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| pH | >7 (H2O, 20°C) (undiluted) |
| Merck | 14,6026 |
| BRN | 2204907 |
| InChI | 1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1 |
| InChIKey | RQEUFEKYXDPUSK-ZETCQYMHSA-N |
| SMILES | C[C@H](N)c1ccccc1 |
| LogP (Verteilungskoeffizient) | 1.31 at 25℃ |
| CAS Datenbank | 2627-86-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, «alpha»-methyl-, (S)-(2627-86-3) |
| EPA chemische Informationen | Benzenemethanamine, .alpha.-methyl-, (.alpha.S)- (2627-86-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312 (68.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 644 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanamine, .alpha.-methyl-, (S)-Status: Active Update: 07-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30042(S)-(-)-1-Phenylethylamine: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes burnsHarmful by ingestion and skin absorption[ECHA REACH Registrations] Causes burnsInhalation may cause corrosive injuries to upper respiratory tractHarmful by ingestionToxic by skin absorption[Sigma-Aldrich MSDS] See N-Methylbenzylamine. |
| Hazard Classes and Categories | Acute Tox. 4 (99.7%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 3-10-23-34 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2922 8/PG 2 |
| Zollcode | 29214980 |
| RTECS-Nr. | DP5775000 |
| R-Sätze (R) | 21/22-34-35 |
| Toxizität | LD50 orally in Rabbit: 980 mg/kg LD50 dermal Rabbit 730 mg/kg |
Anwendungen & Verwendung
Verwenden
L-1-Phenylethylamine can be used in a one-pot, multi-component synthesis of a highly substituted, chiral pyrrole