Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-(N-Propionylaniline)piperidine
NORFENTANYL · N-PHENYL-N-(4-PIPERIDINYL)PROPANAMIDE · NSC 89293 · AKOS BBS-00006338 · Norfentanyl (CRM) · NORFENTANYL OXALATE · Fentanyl Impurity 7 · Fentanyl EP Impurity B
식별자 및 물리적 특성
| CAS No. | 1609-66-1 |
|---|---|
| 분자식 | C14H20N2O |
| 평균 분자량 | 232.32 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 32.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 243 |
| 의약품 | 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 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
| 녹는점 | 92℃ |
| 끓는 점 | 359.8±35.0 °C(Predicted) |
| 밀도 | 1.075±0.06 g/cm3(Predicted) |
| 증기압 | 0.001-0.002Pa at 20-25℃ |
| 용해도 | DMF: 30 mg/mlDMSO: 20 mg/mlEthanol: 30 mg/mlPBS (pH 7.2): 10 mg/ml |
| pKa(산도 계수) | 9.81±0.10(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 거의 흰색~연한 노란색 |
| 용해도 | 물에 불용성. |
| BRN | 480031 |
| 주요 응용 | 제약 |
| 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(분배 계수) | -1.5-1.3 at 20℃ and pH7.1-12.7 |
| EPA | Propanamide, N-phenyl-N-4-piperidinyl- (1609-66-1) |
화학적 성질
light yellow powder
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29333990 |
| 위험 문구(R) | 34-22-36/38 |
| 위험 표시 | C,Xn |
| 안전 문구(S) | 45-36/37/39-26 |
| 위험 등급 | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
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.
용도
Norfentanyl is a major urinary metabolite of a narcotic analgesic fentanyl.