HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 80779Erstellt: 26. Oktober 2026
3'-Amino-4'-methoxyacetanilid
3-AMINO-4-METHOXY ACETANILIDE · 2-Methoxy-5-(acetylamino)aniline · N-(3-AMINO-4-METHOXYPHENYL)ACETAMIDE · TIMTEC-BB SBB000217 · 5-ACETAMIDO-O-ANISIDINE · o-Amino-p-acetanisidine · 3-Amino-p-acetanisidide · 4-ACETAMIDO-2-AMINOANISOLE
https://huagongshe.com/de/chemical/80779
Identifikatoren & physikalische Daten
| CAS No. | 6375-47-9 |
|---|
| Summenformel | C9H12N2O2 |
|---|
| Durchschnittliche Molmasse | 180,2 g/mol |
|---|
| Monoisotopische Masse | 180,08987762 g/mol |
|---|
| SMILES | COc1ccc(NC(C)=O)cc1N |
|---|
| InChIKey | SJWQCBCAGCEWCV-UHFFFAOYSA-N |
|---|
| PubChem CID | 80779 |
|---|
| ChEMBL | CHEMBL3184844 |
|---|
| EC No. | 228-938-8 |
|---|
| DTXSID | DTXSID2027620 |
|---|
| Lokaler Name | 3'-Amino-4'-methoxyacetanilid |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|
| Polarare Oberfläche (TPSA) | 64,4 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 13 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 184 |
|---|
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
|---|
| Collision Cross Section | 137.3 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID2027620] |
|---|
| Schmelzpunkt | 109°C |
|---|
| Siedepunkt | 313.03°C (rough estimate) |
|---|
| Dichte | 1.1819 (rough estimate) |
|---|
| Brechungsindex | 1.5373 (estimate) |
|---|
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
|---|
| Löslichkeit | soluble in Methanol |
|---|
| Aggregatzustand | powder to crystal |
|---|
| pKa (Säurekonstante) | 14.23±0.70(Predicted) |
|---|
| Farbe | White to Gray to Brown |
|---|
| Stabilität | Hygroscopic |
|---|
| InChI | InChI=1S/C9H12N2O2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,10H2,1-2H3,(H,11,12) |
|---|
| InChIKey | SJWQCBCAGCEWCV-UHFFFAOYSA-N |
|---|
| SMILES | C(NC1=CC=C(OC)C(N)=C1)(=O)C |
|---|
| CAS Datenbank | 6375-47-9(CAS DataBase Reference) |
|---|
| NIST chemische Informationen | 2-Amino-4-acetamino anisole(6375-47-9) |
|---|
| EPA chemische Informationen | Acetamide, N-(3-amino-4-methoxyphenyl)- (6375-47-9) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 81.8% (9 of 11) of all reports.WarningH302 (18.2%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 11 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
|---|
| Gefahrenübersicht | An irritant[Sigma-Aldrich MSDS] See Acetanilide. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (18.2%) |
|---|
| Wassergefährdungsklasse (WGK) | 1 |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| Zollcode | 2924297099 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26-37/39 |
|---|
| Gefahrenklasse | IRRITANT |
|---|
