HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 28397Erstellt: 4. November 2026
3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-
NIH-2933 · Alphamethadol · QIRAYNIFEOXSPW-UHFFFAOYSA-N · Dimepheptanol (1mg/mL in Methanol) · 6-Dimethylamino-4,4-diphenyl-3-heptanol · 6-(dimethylamino)-4,4-di(phenyl)heptan-3-ol · Benzeneethanol, β-[2-(dimethylamino)propyl]-α-ethyl-β-phenyl-
https://huagongshe.com/de/chemical/28397
Identifikatoren & physikalische Daten
| CAS No. | 17199-55-2 |
|---|
| Summenformel | C21H29NO |
|---|
| Durchschnittliche Molmasse | 311,5 g/mol |
|---|
| Monoisotopische Masse | 311,22491455 g/mol |
|---|
| SMILES | CCC(O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1 |
|---|
| InChIKey | QIRAYNIFEOXSPW-UHFFFAOYSA-N |
|---|
| PubChem CID | 28397 |
|---|
| ChEMBL | CHEMBL368591 |
|---|
| ChEBI | CHEBI:135332 |
|---|
| DTXSID | DTXSID40110031 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|
| Polarare Oberfläche (TPSA) | 23,5 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 7 |
|---|
| Schwere Atome | 23 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 311 |
|---|
| Arzneimittel | DEA NFLIS-Drug Category -> Narcotic AnalgesicsDEA Schedule I Controlled Substance -> OpiatesPharmaceuticals -> Synthetic Cannabinoids or Psychoactive CompoundsPharmaceuticals -> Metabolite of Methadone |
|---|
| LogP (Verteilungskoeffizient) | 4.27 |
|---|
| Endocrine Disruptors | Potential endocrine disrupting compound |
|---|
| Schmelzpunkt | 127 °C |
|---|
| Siedepunkt | 437.0±45.0 °C(Predicted) |
|---|
| Dichte | 1.013±0.06 g/cm3(Predicted) |
|---|
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
|---|
| Aggregatzustand | Solid |
|---|
| pKa (Säurekonstante) | 14.56±0.20(Predicted) |
|---|
| Farbe | White to Light Yellow |
|---|
Sicherheit & Vorschriften
| Regulatorische Informationen | DEA schedule I controlled substance |
|---|
| DEA Controlled Substances | CSCN: 9618CSA SCH: Schedule INARC: Yes |
|---|
