HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α-(Aminomethyl)benzylalkohol
Bisnorephedrine · 231-469-1 · Norphedrin · Apophedrin · Phenethanolamine · S/R-PHENYLGLYCINOL · PHENYLETHANOLAMINE · (-)-N-Boc-D-αβ-Phenethanolamine
Identifikatoren & physikalische Daten
| CAS No. | 7568-93-6 |
|---|---|
| Summenformel | C8H11NO |
| Durchschnittliche Molmasse | 137,18 g/mol |
| Monoisotopische Masse | 137,08406397 g/mol |
| SMILES | NCC(O)c1ccccc1 |
| InChIKey | ULSIYEODSMZIPX-UHFFFAOYSA-N |
| PubChem CID | 1000 |
| ChEMBL | CHEMBL19216 |
| ChEBI | CHEBI:16343 |
| EC No. | 231-469-1 |
| DTXSID | DTXSID10864094 |
| Lokaler Name | α-(Aminomethyl)benzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 89,3 |
| Stoffklassen | Nitrogen Compounds -> Ethanolamines |
| Arzneimittel | Pharmaceutical |
| Löslichkeit | 45.8 mg/mLChloroform (Slightly), Methanol (Slightly)43.79g/L(20 ºC) |
| Schmelzpunkt | 56.5 °C56-58 °C (lit.) |
| Dampfdruck | 0.00132 [mmHg] |
| Physical Description | Pale yellow solid[Merck Index] Light yellow solidified mass or fragments[Sigma-Aldrich MSDS] |
| Siedepunkt | 160 °C/17 mmHg (lit.) |
| Dichte | 1.0630 (rough estimate) |
| Brechungsindex | 1.558-1.56 |
| Lagerbedingungen | Refrigerator |
| pKa (Säurekonstante) | 12.04±0.35(Predicted) |
| Aggregatzustand | Viscous Liquid |
| Farbe | Clear yellow |
| Merck | 14,7287 |
| BRN | 971222 |
| Stabilität | Stable. Incompatible with oxidizing agents, acids, acid chlorides, acid anhydrides. |
| InChI | 1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2 |
| InChIKey | ULSIYEODSMZIPX-UHFFFAOYSA-N |
| SMILES | NCC(O)c1ccccc1 |
| CAS Datenbank | 7568-93-6(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenemethanol, .alpha.-(aminomethyl)- (7568-93-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanol, .alpha.-(aminomethyl)- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 250 mg/kg[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] See N-Phenylethanolamine. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3259 |
| Zollcode | 29221990 |
| RTECS-Nr. | DN5500000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Amino-1-phenylethanol is an intermediate in the manufacturing of pressor amines. The sulfate salt is used as topical vasoconstrictor.