1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Daten werden ergänzt – meist innerhalb einer Minute fertig
Grundinformationen
- CAS
27760-74-3- Standard-SMILES
CCCn1cnc2c1c(=O)n(C)c(=O)n2C- InChIKey
HGFWMGARSDHJFP-UHFFFAOYSA-N- Summenformel
- C10H14N4O2
- Durchschnittliche Molmasse
- 222,24 g/mol
- Monoisotopische Masse
- 222,11167569
Namen und Bezeichner
- Bevorzugter Name
- 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- IUPAC
- 1,3-dimethyl-7-propylpurine-2,6-dione
Namen und Synonyme
1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dioneRefChem:414674978-673-327760-74-3Theophylline, n-propyl derivative7-propyltheophyllineCHEMBL264551,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione3,7-Dihydro-1,3-dimethyl-7-propyl-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-propyl-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione1,3-dimethyl-7-propyl-purine-2,6-dione
Weitere Namen anzeigen
1,3-dimethyl-7-propylpurine-2,6-dione1,3-Dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione1,3-dimethyl-7-propylxanthineF3259-0260SCHEMBL8443037SCHEMBL15453295DTXSID20357200HMS1682I09
Datenbank-Bezeichner
- CAS
27760-74-3- PubChem CID
- 847168
- DTXSID
DTXSID20357200- ChEMBL
CHEMBL26455- EC Number
- 978-673-3
- Nikkaji
- J401.151A
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 58,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 320
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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