Grundinformationen
- Standard-SMILES
c1ccc(CCN2CCC(Nc3ccccc3)CC2)cc1- InChIKey
ZCMDXDQUYIWEKB-UHFFFAOYSA-N- Summenformel
- C19H24N2
- Durchschnittliche Molmasse
- 280,4 g/mol
- Monoisotopische Masse
- 280,19394877
Namen und Bezeichner
- Bevorzugter Name
- N-phenyl-1-(2-phenylethyl)-4-piperidinamine
- IUPAC
- N-phenyl-1-(2-phenylethyl)piperidin-4-amine
- Englischer Name
- 4-Aminophenyl-1-phenethylpiperidine
- Summenformel
- C19H24N2
- Molmasse
- 280.41
Namen und Synonyme
21409-26-7DespropionylfentanylANPP4-Piperidinamine, N-phenyl-1-(2-phenylethyl)-4-Anilino-1-phenethylpiperidineQ88EHD0U8GN-Phenyl-1-(2-phenylethyl)-4-piperidinamine4-Anilino-N-phenethyl-4-piperidineRefChem:132305642-161-51-phenethyl-N-phenylpiperidin-4-amineDepropionylfentanyl
Weitere Namen anzeigen
Fentanyl Related Compound ETBC-54874-ANPP (CRM)4-ANPP solutionFentanyl Impurity DFentanyl Citrate Impurity DFentanyl Citrate EP Impurity DFentanyl Related CoMpound E CII
N-phenyl-1-(2-phenylethyl)piperidin-4-amine4-ANPPDespropionyl fentanylN-PHENYL-1-(2-PHENETHYL)PIPERIDIN-4-AMINE4-anilino-N-phenethyl-piperidineN-[1-(2-Phenylethyl)-4-piperidinyl]anilineN-(1-(2-PHENYLETHYL)-4-PIPERIDINYL)ANILINE4-Aminophenyl-1-phenethylpiperidine (100 ug/mL in Methanol)
Datenbank-Bezeichner
- CAS
21409-26-7- PubChem CID
- 88890
- DTXSID
DTXSID40175680- UNII
- Q88EHD0U8G
- EC Number
- 642-161-5
- Nikkaji
- J125.907E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,5
- Polarare Oberfläche (TPSA)
- 15,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 271
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index2529.8
Physikochemische Eigenschaften
- Schmelzpunkt
- 94 · 94-96°C
- Siedepunkt
- 172 · 172-176 °C(Press: 0.15 Torr)
- Dichte
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- Flammpunkt
- 9 °C · 9°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- Löslichkeit
- Acetonitrile: SolubleDMSO: SolubleMethanol: Soluble
- pka
- 9.03 · 9.03±0.10(Predicted)
- Aggregatzustand
- Off-white solid.
- Major Application
- pharmaceutical
- InChI
- 1S/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
- InChIKey
- ZCMDXDQUYIWEKB-UHFFFAOYSA-N
- SMILES
- N2(CCC(CC2)Nc3ccccc3)CCc1ccccc1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H300+H310+H330 (25%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H300 (25%): Fatal if swallowed [Danger Acute toxicity, oral]；H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H310 (25%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H330 (25%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P320, P321, P330, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory InformationDEA schedule II controlled substance
Hazard Classes and CategoriesAcute Tox. 1 (25%)；Acute Tox. 4 (75%)；Acute Tox. 1 (25%)；Acute Tox. 4 (50%)；Acute Tox. 1 (25%)；Acute Tox. 4 (50%)
Regulatorische Informationen
Regulatory InformationDEA schedule II controlled substance
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- hs_code
- 29333990
- risk_code
- 22-36/37/38
- safety_code
- 22-37/39-46
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 1 InhalationAcute Tox. 1 Oral
- DEA Controlled Substances
- CSCN: 8333CSA SCH: Schedule IINARC: No
Chemie und Industrie
Anwendungen
Beschreibung4-ANPP (Item No. 18810) is an analytical reference material categorized as an opioid metabolite and a precursor in the synthesis of fentanyl (Item Nos. ISO60197 | 22659 | 14719) and other opioids. 4-ANPP is a metabolite of acetyl fentanyl (Item Nos. ISO60128 | ISO00128), butyryl fentanyl (Item Nos. 19734 | 14728), furanyl fentanyl (Item Nos. 19633 | 18705), acrylfentanyl (Item Nos. 23060 | 19312), and fentanyl. It has also been found as an impurity in illicit fentanyl preparations. 4-ANPP is regulated as a Schedule II compound in the United States. This product is intended for research and forensic applications.
VerwendenA 3H-Fentanyl (F274990) metabolite
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