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2-[(Phenylmethyl)amino]benzoesure
NSC 54640 · NSC 54454 · N-Benzylanthranilic acid · 2-(BEZYLAMINO)BENZOIC ACID · 2-(BENZYLAMINO)BENZOIC ACID · Anthranilic acid, N-benzyl- · N-Benzylanthranilic Acid >N-Benzyl-o-aminobenzoic acid · 2-(N-BenzylaMino)benzoic Acid
![Molekülstruktur von 2-[(Phenylmethyl)amino]benzoesure](/img/chemical/81095.png)
Identifikatoren & physikalische Daten
| CAS No. | 6622-55-5 |
|---|---|
| Summenformel | C14H13NO2 |
| Durchschnittliche Molmasse | 227,26 g/mol |
| Monoisotopische Masse | 227,09462866 g/mol |
| SMILES | O=C(O)c1ccccc1NCc1ccccc1 |
| InChIKey | JGQKORRBYIBYOF-UHFFFAOYSA-N |
| PubChem CID | 81095 |
| EC No. | 229-572-1 |
| DTXSID | DTXSID70216414 |
| Lokaler Name | 2-[(Phenylmethyl)amino]benzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 249 |
| Schmelzpunkt | 177-179°C |
| Siedepunkt | 409.5±28.0 °C(Predicted) |
| Dichte | 1.247±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystaline |
| pKa (Säurekonstante) | 3.89±0.10(Predicted) |
| Farbe | White to Light yellow to Green |
| InChI | 1S/C14H13NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17) |
| InChIKey | JGQKORRBYIBYOF-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccccc1NCc2ccccc2 |
| CAS Datenbank | 6622-55-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29224999 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Benzylanthranilic acid is one of the N-aralkylanthranilic acid derivatives used as CNS depressants.