8-(4-Chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione
Grundinformationen
- CAS
21098-11-3- Standard-SMILES
O=C1CC2(CCCC2)CC(=O)N1CCCCCl- InChIKey
BCNBRBQCDHLCBD-UHFFFAOYSA-N- Summenformel
- C13H20ClNO2
- Durchschnittliche Molmasse
- 257,75 g/mol
- Monoisotopische Masse
- 257,1182566
Namen und Bezeichner
- Bevorzugter Name
- 8-(4-Chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione
- IUPAC
- 8-(4-chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione
- Englischer Name
- 8-(4-Chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione
- Summenformel
- C13H20ClNO2
- Molmasse
- 257.76
Namen und Synonyme
21098-11-38-(4-CHLOROBUTYL)-8-AZASPIRO[4.5]DECANE-7,9-DIONEVT52GF46TTUNII-VT52GF46TT8-(4-Chlorobutyl)-8-azaspiro(4.5)decane-7,9-dione8-Azaspiro(4.5)decane-7,9-dione, 8-(4-chlorobutyl)-8-Azaspiro[4.5]decane-7,9-dione, 8-(4-chlorobutyl)-BUSPIRONE HYDROCHLORIDE IMPURITY L [EP IMPURITY]8-(4-Chlorbutyl)-8-azaspiro-(4,5)-decan-7,9-dion8-(4-Chlorbutyl)-8-azaspiro-[4,5]-decan-7,9-dionBUSPIRONE HYDROCHLORIDE IMPURITY L (EP IMPURITY)RefChem:106834
Weitere Namen anzeigen
IMPURITY-LBuspirone USP Related Compound LBuspirone Hydrochloride Impurity L8-(4-Chlorobutyl)-8-azaspiro[4.5]-dBuspirone Hydrochloride EP Impurity LBuspirone Impurity 12(Buspirone EP Impurity L)Buspirone EP Impurity L/ Buspirone Related Compund L
606-705-5Buspirone EP Impurity Lorb3215322SCHEMBL7410588DTXSID301231950DB-3074188-(4-Chlorobutyl)-8-azaspiro[4.5]-decane-7,9-dione8-(4-Chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione, AldrichCPR
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 37,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 291
Physikochemische Eigenschaften
- Siedepunkt
- 429.4 · 429.4±28.0 °C(Predicted)
- Dichte
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- Oil
- pka
- -1.48 · -1.48±0.20(Predicted)
- Farbe
- Colourless
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C13H20ClNO2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10H2
- InChIKey
- BCNBRBQCDHLCBD-UHFFFAOYSA-N
- SMILES
- ClCCCCN1C(=O)CC2(CCCC2)CC1=O
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationREACH registered substance: 8-(4-Chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione (EC: 606-705-5)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933599550
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
Verwenden8-(4-Chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione is an impurity of Buspirone (B689850), an non-benzodiazepine anxiolytic; 5-hydroxytryptamine (5-HT1) receptor agonist.
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