N-Phenyl-N-piperidin-4-ylpropionamid

NORFENTANYL · N-PHENYL-N-(4-PIPERIDINYL)PROPANAMIDE · NSC 89293 · AKOS BBS-00006338 · Norfentanyl (CRM) · NORFENTANYL OXALATE · Fentanyl Impurity 7 · Fentanyl EP Impurity B

https://huagongshe.com/de/chemical/259381

Molekülstruktur von N-Phenyl-N-piperidin-4-ylpropionamid

Identifikatoren & physikalische Daten

CAS No.	1609-66-1
Summenformel	C14H20N2O
Durchschnittliche Molmasse	232,32 g/mol
Monoisotopische Masse	232,15756326 g/mol
SMILES	CCC(=O)N(c1ccccc1)C1CCNCC1
InChIKey	PMCBDBWCQQBSRJ-UHFFFAOYSA-N
PubChem CID	259381
ChEMBL	CHEMBL3560524
ChEBI	CHEBI:62685
EC No.	216-543-3
DTXSID	DTXSID2057657
Lokaler Name	N-Phenyl-N-piperidin-4-ylpropionamid

Chemische & physikalische Eigenschaften

XLogP	1,6
Polarare Oberfläche (TPSA)	32,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	17
Formalladung	0
Komplexität	243
Arzneimittel	DEA NFLIS-Drug Category -> Fentanyl and Fentanyl-relatedDEA Schedule II Controlled Substance -> Immediate precursorsPharmaceuticals -> Analgesics (Anesthetics)Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Collision Cross Section	156.4 Å² [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]
Schmelzpunkt	92℃
Siedepunkt	359.8±35.0 °C(Predicted)
Dichte	1.075±0.06 g/cm3(Predicted)
Dampfdruck	0.001-0.002Pa at 20-25℃
Löslichkeit	DMF: 30 mg/mlDMSO: 20 mg/mlEthanol: 30 mg/mlPBS (pH 7.2): 10 mg/mlInsoluble in water.
pKa (Säurekonstante)	9.81±0.10(Predicted)
Aggregatzustand	Powder
Farbe	Almost white to light yellow
BRN	480031
Hauptanwendungen	pharmaceutical
InChI	1S/C14H20N2O.H2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3
InChIKey	PMCBDBWCQQBSRJ-UHFFFAOYSA-N
SMILES	CCC(N(C1=CC=CC=C1)C2CCNCC2)=O.O
LogP (Verteilungskoeffizient)	-1.5-1.3 at 20℃ and pH7.1-12.7
CAS Datenbank	1609-66-1
EPA chemische Informationen	Propanamide, N-phenyl-N-4-piperidinyl- (1609-66-1)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (89.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	DEA schedule II controlled substanceStatus: Active Update: 08-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20255
Hazard Classes and Categories	Acute Tox. 4 (89.6%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29333990
R-Sätze (R)	34-22-36/38
Gefahrensymbole	C,Xn
Sicherheitshinweise (S)	45-36/37/39-26
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2

Anwendungen & Verwendung

Beschreibung

Norfentanyl (Item No. ISO60195) is a certified reference material that is classified as an opioid. It is a thermal degradant and major urinary metabolite of the opioid analgesic, fentanyl (Item Nos. ISO60197 | 14719). This product is intended for forensic and research applications.

Verwenden

Norfentanyl is a major urinary metabolite of a narcotic analgesic fentanyl.