1-(2-Benzoylethyl)piperidiniumchlorid
3-Piperidinopropiophenone hydrochloride
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Grundinformationen
- CAS
886-06-6- Standard-SMILES
Cl.O=C(CCN1CCCCC1)c1ccccc1- InChIKey
XIROGEVVNHGHFZ-UHFFFAOYSA-N- Summenformel
- C14H20ClNO
- Durchschnittliche Molmasse
- 253,77 g/mol
- Monoisotopische Masse
- 253,123342
Namen und Bezeichner
- Bevorzugter Name
- 3-Piperidinopropiophenone hydrochloride
- IUPAC
- 1-phenyl-3-piperidin-1-ylpropan-1-one;hydrochloride
- Lokaler Name
- 1-(2-Benzoylethyl)piperidiniumchlorid
- Englischer Name
- 1-(2-benzoylethyl)piperidinium chloride
- Summenformel
- C14H20ClNO
- Molmasse
- 253.7677
Namen und Synonyme
886-06-61-phenyl-3-(piperidin-1-yl)propan-1-one hydrochloride3-Piperidinopropiophenone hydrochloride1-(2-Benzoylethyl)piperidinium chlorideNA 65 hydrochloride1-Propanone, 1-phenyl-3-(1-piperidinyl)-, hydrochlorideN-(2-Benzoylethyl)piperidine hydrochloride3-Piperidinopropiophenone HClbeta-Piperidinopropiophenone hydrochlorideAHK6YP2A9PPropiophenone, 3-piperidino-, hydrochlorideS 220 (VAN)
Weitere Namen anzeigen
Pridinol impurity BTrihexyphenidyl impurity 6Trihexyphenidyl EP Impurity A HClBenzhexol Impurity 1 Hydrochloride1-Phenyl-3-(piperidin-1-yl)propan-1TrihexylphenidylRelatedCompoundA.HCL-(1-PIPERIDYL)PROPIOPHENONE HYDROCHLORIDE1-PHENYL-3-(PIPERIDIN-1-YL)PROPAN-1-ONE HCL1-phenyl-3-piperidino-propan-1-one hydrochloride
EINECS 212-947-9CV-950NSC 1450131-Phenyl-3-(1-piperidinyl)-1-propanone hydrochloride3-(1-Piperidinyl)propiophenone hydroChloridebeta-(1-Piperidyl)propiophenone hydrochlorideN-(beta-Benzoylethyl)piperidine hydrochloridePropiophenone, beta-piperidino-, hydrochloride
Datenbank-Bezeichner
- CAS
886-06-6- PubChem CID
- 70171
- DTXSID
DTXSID60237193- ChEMBL
CHEMBL1301346- UNII
- AHK6YP2A9P
- EC Number
- 212-947-9
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 20,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 215
Physikochemische Eigenschaften
- Schmelzpunkt
- 192 · 192-193 °C(Solv: ethanol (64-17-5); acetone (67-64-1))
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- solid
- InChI
- InChI=1S/C14H19NO.ClH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15;/h1,3-4,7-8H,2,5-6,9-12H2;1H
- InChIKey
- XIROGEVVNHGHFZ-UHFFFAOYSA-N
- SMILES
- C1(C=CC=CC=1)C(=O)CCN1CCCCC1.Cl
- CAS Datenbank
- 886 · 886-06-6
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]；H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (92.9%): 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 42 reports by companies from 4 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
Regulatory InformationStatus: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19900
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (92.9%)；Eye Dam. 1 (92.9%)；STOT SE 3 (92.9%)
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19900
Sicherheitsdaten
- hs_code
- 2933399090
- Toxizität
- LD50 intraperitoneal in mouse: 61mg/kg
Chemie und Industrie
Anwendungen
Verwenden3-Piperidinopropiophenone is a mono Mannich base derived from acetophenone with antibacterial, antifungal and antitumor activity. 3-Piperidinopropiophenone shows cytotoxicity againts Jurkat cells.
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