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D-α-Methylbenzylamin
(R)-1-phenylethan-1-amine · (R)-1-PHENYLETHYLAMINE · R-(+)-ALPHA-PHENYLETHYLAMINE · (1R)-1-PHENYLETHANAMINE · (R)-1-phenethylamine · (R)-(+)-α-Methylbenzylamine · D-ALPHA-PHENYLETHYLAMINE · (theta)-benzenemethanamin
Identifikatoren & physikalische Daten
| CAS No. | 3886-69-9 |
|---|---|
| Summenformel | C8H11N |
| Durchschnittliche Molmasse | 121,18 g/mol |
| Monoisotopische Masse | 121,08914935 g/mol |
| SMILES | C[C@@H](N)c1ccccc1 |
| InChIKey | RQEUFEKYXDPUSK-SSDOTTSWSA-N |
| PubChem CID | 643189 |
| ChEMBL | CHEMBL19969 |
| ChEBI | CHEBI:35322 |
| EC No. | 223-423-4 |
| DTXSID | DTXSID80930735 |
| Lokaler Name | D-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 |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Colorless to light yellow liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -10 °C |
| Siedepunkt | 187-189 °C(lit.) |
| Dichte | 0.952 g/mL at 20 °C(lit.) |
| Dampfdruck | 0.5 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.526(lit.) |
| Flammpunkt | 175 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | 40g/l40 g/L (20 ºC) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.04±0.10(Predicted) |
| Farbe | Clear colorless |
| pH | >7 (40g/l, H2O, 20℃) |
| Merck | 14,6026 |
| BRN | 2410916 |
| InChI | 1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1 |
| InChIKey | RQEUFEKYXDPUSK-SSDOTTSWSA-N |
| SMILES | C[C@@H](N)c1ccccc1 |
| LogP (Verteilungskoeffizient) | 1.31-1.49 at 25℃ |
| CAS Datenbank | 3886-69-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, «alpha»-methyl-, (R)-(3886-69-9) |
| EPA chemische Informationen | Benzenemethanamine, .alpha.-methyl-, (.alpha.R)- (3886-69-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 172 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanamine, .alpha.-methyl-, (R)-Status: Active Update: 19-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20127(R)-(+)-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[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (98.8%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 3-10-23-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29214980 |
| R-Sätze (R) | 21/22-34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-28-36/37/39-45-28A-27 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Selbstentzündungstemperatur | 355 °C DIN 51794 |
Anwendungen & Verwendung
Verwenden
(R)-(+)-1-Phenylethylamine is a chiral amine used for the determination of the enantiomeric purity of acids.