HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Isopropylbenzylamin
Isopropylbenzylamine · Benzylisopropylamine · N-BENZYLISOPROPYLAMINE · N-benzylpropan-2-aMine · N-Isopropylbenzylamine Crystal · Benzylamine, N-isopropyl- · n-(1-methylethyl)-benzenemethanamine · AURORA KA-7714
Identifikatoren & physikalische Daten
| CAS No. | 102-97-6 |
|---|---|
| Summenformel | C10H15N |
| Durchschnittliche Molmasse | 149,23 g/mol |
| Monoisotopische Masse | 149,12044948 g/mol |
| SMILES | CC(C)NCc1ccccc1 |
| InChIKey | LYBKPDDZTNUNNM-UHFFFAOYSA-N |
| PubChem CID | 66024 |
| ChEMBL | CHEMBL3229275 |
| EC No. | 203-067-6 |
| DTXSID | DTXSID8059265 |
| Lokaler Name | N-Isopropylbenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 93 |
| Ionization Efficiency | Positive4.772.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Kovats Retention Index | 1149.7 |
| Schmelzpunkt | 143°C (estimate) |
| Siedepunkt | 200 °C(lit.) |
| Dichte | 0.892 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.502(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Slightly), Ethy Acetate (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.77±0.19(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| BRN | 2638437 |
| InChI | 1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 |
| InChIKey | LYBKPDDZTNUNNM-UHFFFAOYSA-N |
| SMILES | CC(C)NCc1ccccc1 |
| CAS Datenbank | 102-97-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, N-(1-methylethyl)-(102-97-6) |
| EPA chemische Informationen | Benzenemethanamine, N-(1-methylethyl)- (102-97-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.WarningH315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (95.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 49 reports by companies.There are 6 notifications provided by 48 of 49 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34344 |
| Hazard Classes and Categories | Skin Irrit. 2 (98%)Eye Irrit. 2 (95.9%)STOT SE 3 (93.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2735 |
| Zollcode | 29214980 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
N-Isopropylbenzylamine, can be used as an intermediate in the synthesis of pharmaceutical compounds,and as a precursor to the manufacture of some drugs. Due to it’s similarity in appearance and physical properties to methamphetamine, it has been recently come under consideration of DEA.
Herstellung & Synthese
synthetische
N-benzylisopropylamine is synthesized by the reduction reaction of N-isopropylbenzamide or prepared from benzylamine and acetone by reductive amination reaction.