1-Boc-4-AP
Grundinformationen
- CAS
125541-22-2- Standard-SMILES
CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)CC1- InChIKey
HTIWISWAPVQGMI-UHFFFAOYSA-N- Summenformel
- C16H24N2O2
- Durchschnittliche Molmasse
- 276,37 g/mol
- Monoisotopische Masse
- 276,18377801
Namen und Bezeichner
- Bevorzugter Name
- 1-Boc-4-AP
- IUPAC
- tert-butyl 4-anilinopiperidine-1-carboxylate
- Englischer Name
- 1-N-Boc-4-(Phenylamino)piperidine
- Summenformel
- C16H24N2O2
- Molmasse
- 276.37
Namen und Synonyme
tert-butyl 4-(phenylamino)piperidine-1-carboxylate1-BOC-4-APDTXSID90363439RefChem:430095DTXCID903144861-boc-4-AP (tert-butyl 4-(phenylamino)piperidine-1-carboxylate) and its salts864-150-6125541-22-21-Boc-4-(Phenylamino)piperidine1-N-BOC-4-(PHENYLAMINO)PIPERIDINEtert-butyl 4-anilinopiperidine-1-carboxylateMFCD02102489
Weitere Namen anzeigen
1-N-Boc-4-(Phenylamino)Aniline piperidine(Phenylamino)piperidine4-(Phenylamino)piperidine, N1-BOC protected2-Methyl-2-propanyl 4-anilino-1-piperidinecarboxylate4-(phenylamino)-1-N-Boc-4-(Phenylami
N-tert-Butoxycarbonyl-4-anilinopiperidine1-N-BOC-4-PHENYLAMINOPIPERIDINEtert-butyl 4-(phenylamino)piperidinecarboxylate1-(tert-butoxycarbonyl)-4-phenylaminopiperidinetert-butyl 4-anilinotetrahydro-1(2H)-pyridinecarboxylate4-ANBocPBionet2_0003915PB6P54SRS
Datenbank-Bezeichner
- CAS
125541-22-2- PubChem CID
- 1491502
- DTXSID
DTXSID90363439- ChEMBL
CHEMBL1574621- UNII
- 5PB6P54SRS
- EC Number
- 864-150-6
- Nikkaji
- J305.992H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 41,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 311
Experimentelle und physikochemische Eigenschaften
Solubility35.2 [ug/mL] (The mean of the results at pH 7.4)
Physikochemische Eigenschaften
- Schmelzpunkt
- 136 · 136-137
- Siedepunkt
- 400.6 · 400.6±38.0 °C(Predicted)
- Dichte
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- 15 mg/mL; · DMF: 15mg/mL; DMSO: 25mg/mL; Ethanol: 25mg/mL; Ethanol:PBS (pH 7.2) (1:1): 0.5mg/mL
- Aggregatzustand
- A crystalline solid
- pka
- 5 · 5.00±0.20(Predicted)
- InChI
- InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-14(10-12-18)17-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3
- InChIKey
- HTIWISWAPVQGMI-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(NC2=CC=CC=C2)CC1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hs_code
- 2933399990
- risk_code
- 22
- hazard_code
- Xi,Xn
- hazard_note
- Harmful/Irritant
- hazard_class
- IRRITANT
Chemie und Industrie
Verwendung und Herstellung
DEA Listed Chemicals
1-boc-4-AP (tert-butyl 4-(phenylamino)piperidine-1-carboxylate) and its salts
A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
Anwendungen
Beschreibung4-Anilino-1-Boc-piperidine is an analytical reference standard that is structurally similar to known opioids. 4-Anilino-1-Boc-piperidine is a precursor in the synthesis of 4-anilinopiperidine . This product is intended for research and forensic applications.
VerwendenIntermediate in the preparation of Fentanyl derivatives.
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Nachgelagerte Produkte
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