Praziquanamine

HCID 6453168

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Grundinformationen

CAS: 55375-90-1
Standard-SMILES: O=C1CNCC2c3ccccc3CCN12
InChIKey: GTRDOUXISKJZGL-UHFFFAOYSA-N
Summenformel: C12H14N2O
Durchschnittliche Molmasse: 202,25 g/mol
Monoisotopische Masse: 202,11061307

Überblick

RN given refers to (+-)-isomer; structure given in first source

Namen und Bezeichner

Bevorzugter Name: Praziquanamine
IUPAC: 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
Englischer Name: 1,2,3,6,7,11b-Hexahydro-4H-pyrazino(2,1-a)isoquinoline-4-one
Summenformel: C12H14N2O
Molmasse: 202.25

Namen und Synonyme

Praziquanamine55375-90-1V9G3QA2B88RefChem:43768361196-37-02,3,6,7-Tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-oneDL-Praziquanaminerac-Praziquanamine1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-oneMFCD097438761,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one1,2,3,6,7,11B-hexahydro-4h-pyrazino(2,1-a)isoquinoline-4-one

Weitere Namen anzeigen

Praziquantel Descyclohexylcarbonyl Impurity1,2,3,6,7,11b-Hexahydro-4H-pyrazino[2,1-]isoquinoline-4-one1,2,3,6,7,11β-hexahydro-4H-pyrazino[2,1-α]isoquinoline-4-one1,2,3,6,7,11β-hexahydro-4H-pyrazino[2,1-a]isoquinoline-4-one

2,3,6,7-Tetrahydro-1H-pyrazino-[2,1-a]isoquinolin-4(11bH)-one1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinolin-4-one1H,2H,3H,4H,6H,7H,11BH-PIPERAZINO[2,1-A]ISOQUINOLIN-4-ONE1H,2H,3H,4H,6H,7H,11bH-pyrazino(2,1-a)isoquinolin-4-one1,2,3,6,7,11B-hexahydro-4h-pyrazino[2,1-a]isoquinoline-4-one1,2,3,6,7,11b-Hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one; (+/-)-Praziquanamine; DL-Praziquanamine(+/-)-Praziquanamine

Datenbank-Bezeichner

CAS: 55375-90-1、61196-37-0
PubChem CID: 6453168
DTXSID: DTXSID80970712
UNII: V9G3QA2B88
EC Number: 612-098-8、917-666-1、928-228-4
Nikkaji: J982.173B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 266

Physikochemische Eigenschaften

Schmelzpunkt: 116.8 · 116.8-118.4℃
Siedepunkt: 399.7 · 399.7±42.0 °C(Predicted)
Dichte: 1.24 · 1.24±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.: -20 °C · -20°C Freezer
Löslichkeit: Dichloromethane (Slightly), Chloroform (Slightly), Methanol (Slightly)
pka: 7.44 · 7.44±0.20(Predicted)
Aggregatzustand: Solid
Farbe: Light Yellow to Dark Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)