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4-Dimethylaminobenzoesure
P-DIMETHYLAMINOBENZOIC ACID · 4-Diaminomethylbenzoic acid · LR-78 · Solarchem O · AKOS BBS-00003737 · RARECHEM AL BO 0056 · -Dimethylaminobenzoicacid · 4-DIMETHYLAMINOBENZOIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 619-84-1 |
|---|---|
| Summenformel | C9H11NO2 |
| Durchschnittliche Molmasse | 165,19 g/mol |
| Monoisotopische Masse | 165,07897859 g/mol |
| SMILES | CN(C)c1ccc(C(=O)O)cc1 |
| InChIKey | YDIYEOMDOWUDTJ-UHFFFAOYSA-N |
| PubChem CID | 12092 |
| ChEMBL | CHEMBL112322 |
| EC No. | 210-615-8 |
| DTXSID | DTXSID7060708 |
| Lokaler Name | 4-Dimethylaminobenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 160 |
| Stoffklassen | Nitrogen Compounds -> Aminobenzoic Acids |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Dampfdruck | 0.000625 [mmHg] |
| Physical Description | Solid[Merck Index] Off-white odorless powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 241-243 °C (dec.)(lit.) |
| Siedepunkt | 117-118 C |
| Dichte | 1,04 g/cm |
| Brechungsindex | 1,3715 |
| Flammpunkt | 170 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Insoluble in water. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 6.03, 11.49(at 25℃) |
| Farbe | White, beige to grayish green |
| Merck | 14,3232 |
| BRN | 386867 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12) |
| InChIKey | YDIYEOMDOWUDTJ-UHFFFAOYSA-N |
| SMILES | CN(C)c1ccc(cc1)C(O)=O |
| CAS Datenbank | 619-84-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoic acid, 4-(dimethylamino)-(619-84-1) |
| EPA chemische Informationen | Benzoic acid, 4-(dimethylamino)- (619-84-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 70% (105 of 150) of all reports.WarningH315 (30%): 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 150 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 09-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30830Benzoic acid, 4-(dimethylamino)-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intravenous LD50 (mouse) = 180 mg/kg[RTECS] A mild skin irritant[Alfa Aesar MSDS] See Padimate O. |
| Hazard Classes and Categories | Skin Irrit. 2 (30%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29224995 |
| RTECS-Nr. | DG8735000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Dimethylaminobenzoic acid a substituted benzoic acid that acts as an inhibitor of ultraviolet mediated damage to skin. It is a biotransformation product of 2-ethylhexyl 4- (N,N-dimethylaminobenzo)benzoate(EDP), a widely used UV filters in sunscreen cosmetics and other cosmetic products.