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Benzyl(methyl)amin
NMBA · N-BENZYLMETHYLAMINE · BENZYL METHYLAMINE · Benzylamine, N-methyl- · N-methyl-1-phenyl-methanamine · CL044 · NSC 8059 · N-Methylbenzylae
Identifikatoren & physikalische Daten
| CAS No. | 103-67-3 |
|---|---|
| Summenformel | C8H11N |
| Durchschnittliche Molmasse | 121,18 g/mol |
| Monoisotopische Masse | 121,08914935 g/mol |
| SMILES | CNCc1ccccc1 |
| InChIKey | RIWRFSMVIUAEBX-UHFFFAOYSA-N |
| PubChem CID | 7669 |
| ChEMBL | CHEMBL1338 |
| EC No. | 203-133-4 |
| DTXSID | DTXSID9048439 |
| Lokaler Name | Benzyl(methyl)amin |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 65 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.52 |
| Dampfdruck | 0.65 [mmHg] |
| Physical Description | Colorless liquid with an amine-like odor[Alfa Aesar MSDS] |
| Collision Cross Section | 126.07 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | -24 °C |
| Siedepunkt | 184-189 °C(lit.) |
| Dichte | 0.939 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.522(lit.) |
| Flammpunkt | 172 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | 65g/l65 g/L (20 ºC) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.75±0.10(Predicted) |
| Farbe | Clear colorless to light yellow |
| pH | 10 (10g/l, H2O, 20℃) |
| Explosionsgrenze | 1.4-7.7%(V) |
| BRN | 606221 |
| Dielektrizitätskonstante | 4.4(19℃) |
| Stabilität | Stable, but may be air sensitive through reaction with carbon dioxide. Combustible. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides, carbon dioxide. |
| Kosmetik-Inhaltsstoffe Funktionen | SURFACE MODIFIERSURFACTANT - CLEANSING |
| InChI | 1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3 |
| InChIKey | RIWRFSMVIUAEBX-UHFFFAOYSA-N |
| SMILES | CNCc1ccccc1 |
| CAS Datenbank | 103-67-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, N-methyl-(103-67-3) |
| EPA chemische Informationen | N-Methylbenzylamine (103-67-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.2% (5 of 2144) of reports.DangerH226 (93.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2144 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanamine, N-methyl-Status: Active Update: 10-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10517Benzyl(methyl)amine: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Precursor of carcinogen benzylmethylnitrosamine. [ChemIDplus] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestion[Alfa Aesar MSDS] See alpha-Methylbenzylamine. |
| Hazard Classes and Categories | Flam. Liq. 3 (93.6%)Acute toxicity - category 4 |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 2-10 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29214980 |
| R-Sätze (R) | 34-42/43-22 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 23-26-36/37/39-45 |
| Gefahrenklasse | 8Resp. Sens. 1Skin Corr. 1BSkin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
N-Benzylmethylamine is used in the production of dyes. It can be also used as catalytic agent, Petrochemical additive. N-methylbenzylamine is a member of phenylmethylamines. N-methylbenzylamine can be found in carrot, which makes N-methylbenzylamine a potential biomarker for the consumption of these food products.