4-Phenylpiperidin-4-carbonitrilhydrochlorid
4-Phenylpiperidine-4-carbonitrile hydrochloride
Grundinformationen
- CAS
51304-58-6- Standard-SMILES
Cl.N#CC1(c2ccccc2)CCNCC1- InChIKey
CQPHZBOPSZGTJM-UHFFFAOYSA-N- Summenformel
- C12H15ClN2
- Durchschnittliche Molmasse
- 222,71 g/mol
- Monoisotopische Masse
- 222,09237616
Namen und Bezeichner
- Bevorzugter Name
- 4-Phenylpiperidine-4-carbonitrile hydrochloride
- IUPAC
- 4-phenylpiperidine-4-carbonitrile;hydrochloride
- Lokaler Name
- 4-Phenylpiperidin-4-carbonitrilhydrochlorid
- Englischer Name
- 4-Cyano-4-phenylpiperidine hydrochloride
- Summenformel
- C12H15ClN2
- Molmasse
- 222.72
Namen und Synonyme
4-Phenylpiperidine-4-carbonitrile hydrochloride4-Phenylpiperidine-4-carbonitrile HClNSC 63943EINECS 257-124-5DTXSID60199303DMCVVFIWYIKAEJ-UHFFFAOYSA-RefChem:526443DTXCID50121794257-124-5InChI=1/C12H14N2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,14H,6-9H24-Cyano-4-phenylpiperidine hydrochloride51304-58-6
Weitere Namen anzeigen
TIMTEC-BB SBB003334LABOTEST-BB LT002332284-Phenyl 4-Cyano Piperidine4-PHENYL-4-PIPERIDINECARBONITRILE HCL4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE 99%4-Cyano-4-phenylpiperidine hydrochloride,99%4-PHENYL-4-PIPERIDINECARBONITRILE HYDROCHLORIDE
MFCD000127754-Cyano-4-phenylpiperidine HCl4-phenylpiperidine-4-carbonitrile;hydrochloride4-Piperidinecarbonitrile, 4-phenyl-, hydrochloride (1:1)NSC-639434-Piperidinecarbonitrile, 4-phenyl-, monohydrochloride4-phenylpiperidine-4-carbonitrile, chlorideNSC63943
Datenbank-Bezeichner
- CAS
51304-58-6- PubChem CID
- 3084973
- DTXSID
DTXSID60199303- UNII
- G4Y6EK6T5Q
- EC Number
- 257-124-5
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 35,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 226
Physikochemische Eigenschaften
- Schmelzpunkt
- 210 · 210-214 °C
- storage temp.
- Store at room temperature, keep dry and cool
- Aggregatzustand
- Crystalline Powder
- Farbe
- White to off-white
- InChI
- InChI=1S/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H
- InChIKey
- CQPHZBOPSZGTJM-UHFFFAOYSA-N
- SMILES
- C(C1(C2C=CC=CC=2)CCNCC1)#N.Cl
- CAS Datenbank
- 51304 · 51304-58-6(CAS DataBase Reference)
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 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (98%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN3439
- hs_code
- 29335990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 24/25-36/37/39-26
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenReactant for synthesis of:CCR5 antagonists derived at the N-terminal of the piperidine ringSubstituted piperidines as lignads of chemokine receptor 5 and inhibitors of HIV-1Functionalized nitrogen heterocycles by radical decarboxylation of β- and γ- amino acidsBenzovesamicol analogs as potential imaging probes for vesicular acetylcholine transportersNeurotransmitter transporter inhibitors with activity at dopamine receptor sitesα1a Adrenoceptor-selective antagonists
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