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2-Benzyl-2-(dimethylamino)-1-(4-(morpholin-4-yl)phenyl)butan-1-one
369 · Irgacure 369 · Photoinitiator369 · UV-369 · IHT-PI 910 · Photoinitiator 910 · 2-BENZYL-2-DIMETHYLAMINO-1-(4-MORPHOLINOPHENYL)-BUTANONE-1 · N,N-Dimethyl-α-ethyl-α-benzyl-β-oxo-4-(4-morpholinyl)benzeneethanamine
Identifikatoren & physikalische Daten
| CAS No. | 119313-12-1 |
|---|---|
| Summenformel | C23H30N2O2 |
| Durchschnittliche Molmasse | 366,5 g/mol |
| Monoisotopische Masse | 366,2307282 g/mol |
| SMILES | CCC(Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C |
| InChIKey | UHFFVFAKEGKNAQ-UHFFFAOYSA-N |
| PubChem CID | 86171 |
| ChEMBL | CHEMBL3187611 |
| EC No. | 404-360-3 |
| DTXSID | DTXSID5044786 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 461 |
| Physical Description | Large CrystalsLiquid |
| Collision Cross Section | 195.7 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID5044786] |
| Schmelzpunkt | 116-119 °C (lit.) |
| Siedepunkt | 528.8±50.0 °C(Predicted) |
| Dichte | 1.094±0.06 g/cm3(Predicted) |
| Dampfdruck | 0-0.01Pa at 25-95℃ |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | 3240 in mg/100g standard fat at 20 ℃5.9mg/L at 20℃ |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 7.04±0.50(Predicted) |
| Farbe | Light orange to Yellow to Green |
| Kosmetik-Inhaltsstoffe Funktionen | BINDING |
| InChI | 1S/C23H30N2O2/c1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3 |
| InChIKey | UHFFVFAKEGKNAQ-UHFFFAOYSA-N |
| SMILES | CCC(Cc1ccccc1)(N(C)C)C(=O)c2ccc(cc2)N3CCOCC3 |
| LogP (Verteilungskoeffizient) | 2.91 at 25℃ |
| CAS Datenbank | 119313-12-1(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)- (119313-12-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH360D: May damage the unborn child [Danger Reproductive toxicity]P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)H360 (35.3%): May damage fertility or the unborn child [Danger Reproductive toxicity] |
|---|---|
| Regulatorische Informationen | Chemical: 1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)-Hazard Traits - Reproductive Toxicity1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)- 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 15-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1145Substance: 2-benzyl-2-dimethylamino-4'-morpholinobutyrophenone |
| Weitere Sicherheitsinformationen | Evaluation - 1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)- |
| Hazard Classes and Categories | Aquatic Acute 1 (99.7%)Repr. 1B (35.3%)Reproductive toxicity - category 1BReproductive toxicity - Category 2 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 29349990 |
| RTECS-Nr. | EL7755000 |
| R-Sätze (R) | 50/53 |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 60-61 |
Anwendungen & Verwendung
Verwenden
UV solidify ink and coating