HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(2-Aminoethyl)benzolsulfonamid
TIMTEC-BB SBB003544 · OTAVA-BB BB7020410047 · Glipizide Impurity 32 · Glipizide Impurity 14 · LABOTEST-BB LT00080735 · Glimepiride Impurity 26 · 4-Aminoethylbenzenesulfonamide · P-Aminoethylbenzenesulfonamide
Identifikatoren & physikalische Daten
| CAS No. | 35303-76-5 |
|---|---|
| Summenformel | C8H12N2O2S |
| Durchschnittliche Molmasse | 200,26 g/mol |
| Monoisotopische Masse | 200,06194862 g/mol |
| SMILES | NCCc1ccc(S(N)(=O)=O)cc1 |
| InChIKey | FXNSVEQMUYPYJS-UHFFFAOYSA-N |
| PubChem CID | 169682 |
| ChEMBL | CHEMBL7087 |
| EC No. | 252-501-0 |
| DTXSID | DTXSID20188814 |
| Lokaler Name | 4-(2-Aminoethyl)benzolsulfonamid |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 94,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 237 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 150-152 °C (lit.) |
| Siedepunkt | 387.4±44.0 °C(Predicted) |
| Dichte | 1.2581 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.5690 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)15.5g/L at 20℃ |
| pKa (Säurekonstante) | 10.16±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White |
| InChI | InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12) |
| InChIKey | FXNSVEQMUYPYJS-UHFFFAOYSA-N |
| SMILES | C1(S(N)(=O)=O)=CC=C(CCN)C=C1 |
| LogP (Verteilungskoeffizient) | -3.1 at 19.8℃ |
| CAS Datenbank | 35303-76-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (63.6%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 22 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 09-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13666 |
| Hazard Classes and Categories | Acute Tox. 4 (63.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN3259 |
| Zollcode | 29350090 |
| R-Sätze (R) | 34-22-36/37/38-20/21/22 |
| Gefahrensymbole | C,Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 45-36/37/39-26-36-24/25 |
| Gefahrenklasse | 8Eye Irrit. 2Met. Corr. 1Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-(2-Aminoethyl)benzenesulfonamide was used to develop a model system to study the implementation of a microfluid chip required for Fourier transform measurements of biochemical interactions.