HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 75598Erstellt: 27. Oktober 2026
4-Amino-3-methylbenzoesaeure
3-METHYL-4-AMINOBENZOIC ACID · Fluralaner-034 · RARECHEM AL BO 2396 · 4-Amino-3-methylbenz · 4-AMINO-M-TOLUIC ACID · 4-Amino-n-toluic acid · 3-Methyl-4-AMino acid · Carbidopa Impurity 24
https://huagongshe.com/de/chemical/75598
Identifikatoren & physikalische Daten
| CAS No. | 2486-70-6 |
|---|
| Summenformel | C8H9NO2 |
|---|
| Durchschnittliche Molmasse | 151,16 g/mol |
|---|
| Monoisotopische Masse | 151,06332853 g/mol |
|---|
| SMILES | Cc1cc(C(=O)O)ccc1N |
|---|
| InChIKey | NHFKECPTBZZFBC-UHFFFAOYSA-N |
|---|
| PubChem CID | 75598 |
|---|
| ChEMBL | CHEMBL3278361 |
|---|
| EC No. | 219-629-9 |
|---|
| DTXSID | DTXSID40179562 |
|---|
| Lokaler Name | 4-Amino-3-methylbenzoesaeure |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|
| Polarare Oberfläche (TPSA) | 63,3 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 158 |
|---|
| LogP (Verteilungskoeffizient) | 1.37 |
|---|
| Schmelzpunkt | 169-171 °C (lit.) |
|---|
| Siedepunkt | 273.17°C (rough estimate) |
|---|
| Dichte | 1.2023 (rough estimate) |
|---|
| Brechungsindex | 1.5810 (estimate) |
|---|
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
|---|
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
|---|
| Aggregatzustand | Solid |
|---|
| pKa (Säurekonstante) | 4.93±0.10(Predicted) |
|---|
| Farbe | Pale Brown to Light Brown |
|---|
| BRN | 2802615 |
|---|
| Stabilität | Light Sensitive |
|---|
| Hauptanwendungen | peptide synthesis |
|---|
| InChI | InChI=1S/C8H9NO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,9H2,1H3,(H,10,11) |
|---|
| InChIKey | NHFKECPTBZZFBC-UHFFFAOYSA-N |
|---|
| SMILES | C(O)(=O)C1=CC=C(N)C(C)=C1 |
|---|
| CAS Datenbank | 2486-70-6(CAS DataBase Reference) |
|---|
| NIST chemische Informationen | 4-Amino-3-methylbenzoic acid(2486-70-6) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 29224999 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26-37/39-24/25 |
|---|
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
