HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
DL-α-Methylbenzylamin
1-Phenylethanamine · α-Methylbenzylamine · ALPHA-METHYLBENZYLAMINE · -aL · ALPHA-PEA · DL-1-PHENYLETHYLAMINE · DL-A-PHENYLETHYLAMINE · dl-à-methylbenzylamine
Identifikatoren & physikalische Daten
| CAS No. | 618-36-0 |
|---|---|
| Summenformel | C8H11N |
| Durchschnittliche Molmasse | 121,18 g/mol |
| Monoisotopische Masse | 121,08914936 g/mol |
| SMILES | CC(N)c1ccccc1 |
| InChIKey | RQEUFEKYXDPUSK-UHFFFAOYSA-N |
| PubChem CID | 7408 |
| ChEMBL | CHEMBL278059 |
| ChEBI | CHEBI:670 |
| EC No. | 202-706-6 |
| DTXSID | DTXSID40862301 |
| Lokaler Name | DL-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 |
| LogP (Verteilungskoeffizient) | 1.49 |
| Geruch | MILD AMMONIACAL ODOR |
| Dichte | 0.9535 @ 20 °C/20 °C0.94 g/mL at 25 °C(lit.) |
| Color/Form | WATER-WHITE LIQ |
| Löslichkeit | SOL IN MOST ORG SOLVENTS & HYDROCARBONS42 mg/L at 20 °C42g/l4.2 g/100 mL (20 ºC) |
| Flammpunkt | 79.4 °C175 °F (79 °C) OC |
| Siedepunkt | 188.5 °C185 °C756 mm Hg(lit.) |
| Schmelzpunkt | -65 °C< 25 °C |
| Dampfdichte | 4.2 (AIR= 1) |
| Dampfdruck | 0.5 [mmHg]0.5 MM HG @ 20 °C0.7 hPa (20 °C) |
| Brechungsindex | INDEX OF REFRACTION: 1.5238 @ 25 °C/DSADTLER REFERENCE NUMBER: 5859 (IR, PRISM)8420 (IR, GRATING)1640 (UV)207 (NMR, VARIAN) /DL-FORM/INDEX OF REFRACTION: 1.5366 @ 20 °Cn20/D 1.526(lit.) |
| Physical Description | LiquidClear liquid with a mild odor of ammonia[HSDB] Colorless liquid[MSDSonline]Solid |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.04±0.10(Predicted) |
| Farbe | Clear colorless to light yellow |
| Merck | 14,6026 |
| BRN | 636127 |
| Dielektrizitätskonstante | 4.4(18℃) |
| Stabilität | Stable, but absorbs carbon dioxide from the air. Store under an inert atmosphere. Incompatible with strong oxidizing agents, carbon dioxide. |
| InChI | 1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3 |
| InChIKey | RQEUFEKYXDPUSK-UHFFFAOYSA-N |
| SMILES | NC(C)c1ccccc1 |
| LogP (Verteilungskoeffizient) | 1.31 at 25℃ |
| CAS Datenbank | 618-36-0(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, «alpha»-methyl-, (.+/-.)-(618-36-0) |
| EPA chemische Informationen | Benzenemethanamine, .alpha.-methyl- (618-36-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]H312: Harmful in contact with skin [Warning Acute toxicity, dermal]H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, 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) |
|---|---|
| Regulatorische Informationen | Benzenemethanamine, .alpha.-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, .alpha.-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 18-09-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/110091-Phenylethylamine: Does not have an individual approval but may be used under an appropriate group standard |
| Brandpotenzial | MODERATE, WHEN EXPOSED TO HEAT OR FLAMECAN REACT WITH OXIDIZING MATERIALS |
| Gefahrenübersicht | Emergency treatment: Irritants[HSDB] Corrosive to skin and eyes, based on animal studies[CHEMINFO] A corrosive substance that may cause burns[eChemPortal: ESIS] Causes burnsHarmful by ingestion or skin absorptionInhalation may cause corrosive effects to the upper respiratory tract and lungs[Aldrich MSDS] |
| NFPA Hazard Classification | 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.0 - Materials that in themselves are normally stable, even under fire conditions. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute Tox. 4 (99.4%)Skin Corr. 1B (100%)Eye Dam. 1 (67.7%)Acute toxicity - category 4Skin corrosion - category 1BFlammable liquids - Category 4Acute toxicity (Oral) - Category 4Acute toxicity (Dermal) - Category 4Acute Tox. 4 * |
| Brandbekämpfungsverfahren | ALCOHOL FOAM, CARBON DIOXIDE, DRY CHEMICAL |
| Wechselwirkungen | LINOLEIC ACID MIXED WITH ALPHA-METHYL BENZYLAMINE IN A 1:1 MOLAR RATIO & FED TO RATS, ON A HIGH CHOLESTEROL DIET, @ 0.2% OF THE DIET HAD NO EFFECT ON PLASMA & LIVER LIPID LEVELS. |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| Non-Human Toxicity Excerpts | BENZYLAMINES WITH SUBSTITUENTS SUCH AS METHYL ATTACHED TO RING & WITH SUBSTITUENTS SUCH AS METHYL & ETHYL ATTACHED TO ALPHA-CARBON WERE EFFECTIVE IN INHIBITING PHENETHANOLAMINE N-METHYL TRANSFERASE IN N-METHYLATION OF NOREPINEPHRINE TO FORM EPINEPHRINE.BETA-PHENYLETHYLAMINE-HCL GAVE 1ST-ORDER INHIBITION OF SODIUM ION-DEPENDENT GLYCINE ENTRY INTO PIGEON ERYTHROCYTES. ION RATHER THAN FREE AMINE WAS THE INHIBITOR. ALPHA-PHENETHYLAMINE-HCL WAS EFFECTIVE INHIBITOR ALSO.IN RATS IV INJECTION OF 0.5-5 MG/KG HAD A PRESSOR EFFECT WHEREAS 10 MG/KG CAUSED A TEMPORARY DEPRESSOR EFFECT & INHIBITION OF RESP. DECR IN HEART BEAT IN DOGS & INHIBITION OF RESP IN RATS WERE OBSERVED ONLY WHEN LARGE DOSE (10-20 MG/KG) WAS ADMIN. |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29214980 |
| RTECS-Nr. | DP5775000 |
| R-Sätze (R) | 21/22-34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-28-36/37/39-45-28A |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible, corrosive hazardous materials |
| Selbstentzündungstemperatur | 355 °C |
Anwendungen & Verwendung
Verwenden
Used for synthesis and as an emulsifying agent; used as a resolving agent and chiral intermediate.