4-Anilino-1-benzylpiperidin-4-carbonitril
4-Anilino-1-benzylpiperidine-4-carbonitrile
Grundinformationen
- CAS
968-86-5- Standard-SMILES
N#CC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1- InChIKey
AYYPQRMTCMCFSL-UHFFFAOYSA-N- Summenformel
- C19H21N3
- Durchschnittliche Molmasse
- 291,4 g/mol
- Monoisotopische Masse
- 291,17354768
Namen und Bezeichner
- Bevorzugter Name
- 4-Anilino-1-benzylpiperidine-4-carbonitrile
- IUPAC
- 4-anilino-1-benzylpiperidine-4-carbonitrile
- Lokaler Name
- 4-Anilino-1-benzylpiperidin-4-carbonitril
- Englischer Name
- 4-Anilino-1-benzyl-4-cyanopiperidine
- Summenformel
- C19H21N3
- Molmasse
- 291.39
Namen und Synonyme
4-Anilino-1-benzylpiperidine-4-carbonitrileEINECS 213-533-0DTXSID90242513NSC 73005RefChem:518329DTXCID20165004213-533-0968-86-51-benzyl-4-(phenylamino)piperidine-4-carbonitrile1-Benzyl-4-phenylamino-4-cyano-piperidine4-(Phenylamino)-1-benzyl-4-piperidinecarbonitrileMFCD00086217
Weitere Namen anzeigen
4-PiperidinecarbonitrileNSC 7300Remifentanil Impurity HRemifentanil Impurity 64-(phenylamino)-1-(phenylmethyl)4-Anilino-4-cyano-1-benzylpiperidine1-Benzyl-4-cyano-4-anilinopiperidine
4-Piperidinecarbonitrile, 4-(phenylamino)-1-(phenylmethyl)-1-Benzyl-4-phenylamino-piperidine-4-carbonitrileNSC-730054-(phenylamino)-1-(phenylmethyl)-4-piperidinecarbonitrile4-Anilino-1-benzyl-4-piperidinecarbonitrileSMR0004315084-Anilino-1-benzyl-4-cyanopiperidinefentanyl cyanide
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 39,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 377
Experimentelle und physikochemische Eigenschaften
Solubility39.7 [ug/mL] (The mean of the results at pH 7.4)
Physikochemische Eigenschaften
- Schmelzpunkt
- 132 oC · >132oC (dec.)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Off-White to Light Brown
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (97.5%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
Verwenden4-Anilino-1-benzyl-4-cyanopiperidine is used as modulators of muscarinic receptors for treatment of CNS disorders.
Zugehörige Reaktionen
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Notizen zur Verbindung
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