3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one

HCID 2763079CAS 63234-80-0

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Grundinformationen

Standard-SMILES: Cc1nc2n(c(=O)c1CCCl)CCCC2
InChIKey: CMWCQQUYLPYOMY-UHFFFAOYSA-N
Summenformel: C11H15ClN2O
Durchschnittliche Molmasse: 226,7 g/mol
Monoisotopische Masse: 226,08729078

Namen und Bezeichner

Bevorzugter Name: 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one
IUPAC: 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Englischer Name: 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Summenformel: C11H15ClN2O
Molmasse: 226.7

Namen und Synonyme

63234-80-03-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-oneRisperidone impurity L [EP]Piperidopyrimidinone intermediate2089CR1AQN3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-oneDTXSID002126264H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-RISPERIDONE IMPURITY L [EP IMPURITY]RISPERIDONE IMPURITY L (EP IMPURITY)3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido(1,2-a)pyrimidin-4-one

Weitere Namen anzeigen

3-(2-Chloroethyl)-6Paliperidone Impurity 26Risperidone Chloro IMpurityRisperidone Intermediate III3-(2-Chloro-ethyl)-2-methyl-6,7,8,9-tetrahydro-Risperidone Impurity 12(Risperidone EP Impurity L)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido(1,2-a)pyrimidin-4-oneRisperidone impurity LRefChem:490882DTXCID30135117613-192-1Risperidone EP Impurity L3-(2-Chloro-ethyl)-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]-pyrimidin-4-one

Datenbank-Bezeichner

CAS: 63234-80-0
PubChem CID: 2763079
DTXSID: DTXSID00212626
UNII: 2089CR1AQN
EC Number: 613-192-1
Nikkaji: J2.208.362G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 32,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 346

Physikochemische Eigenschaften

Schmelzpunkt: 68.5 · 68.5-69.5 °C
Siedepunkt: 337 °C · 337 °C
Dichte: 1.3 · 1.30
Flammpunkt: 157 °C · 157 °C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 3.58 · 3.58±0.70(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C11H15ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-7H2,1H3
InChIKey: CMWCQQUYLPYOMY-UHFFFAOYSA-N
SMILES: C12CCCCN1C(=O)C(CCCl)=C(C)N=2
CAS Datenbank: 63234 · 63234-80-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.