Grundinformationen
- Standard-SMILES
CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN(C)C)cc1- InChIKey
BYZABNXKJHIPDN-UHFFFAOYSA-N- Summenformel
- C25H39N5O2
- Durchschnittliche Molmasse
- 441,6 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 4-(Dimethylamino)butyl 2-[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]acetate
- IUPAC
- 4-(dimethylamino)butyl 2-[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]acetate
Namen und Synonyme
4-(Dimethylamino)butyl 2-(4-((2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)phenyl)acetate4-(dimethylamino)butyl 2-[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]acetateRefChem:515976937-615-7SCHEMBL904375CHEMBL5278002BYZABNXKJHIPDN-UHFFFAOYSA-N
Datenbank-Bezeichner
- PubChem CID
- 49779995
- ChEMBL
CHEMBL5278002- EC Number
- 937-615-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 93,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 511
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
P260, P264, P270, P271, P284, P304+P340, P316, P319, P320, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Zugehörige Reaktionen
5
Verknüpfte Notizen
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