Basic information
- CAS
442652-38-2- Standard SMILES
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2ccc(F)cc2)c1- InChIKey
LMMVDMRBAQUWFT-UHFFFAOYSA-N- Molecular formula
- C30H32FNO3
- Average molar mass
- 473.6 g/mol
- Monoisotopic mass
- 473.23662204
Names & identifiers
- Preferred name
- 9-(3-((4-Fluorobenzyl)oxy)phenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
- IUPAC
- 9-[3-[(4-fluorophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Names & synonyms
442652-38-29-(3-((4-FLUOROBENZYL)OXY)PHENYL)-3,3,6,6-TETRAMETHYL-3,4,6,7,9,10-HEXAHYDRO-1,8(2H,5H)-ACRIDINEDIONERefChem:549078660-786-19-{3-[(4-fluorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione9-(3-((4-Fluorobenzyl)oxy)phenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dioneSTK034783AKOS001663998EU-0013469SR-01000504432SR-01000504432-19-{3-[(4-fluorophenyl)methoxy]phenyl}-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Database identifiers
- CAS
442652-38-2- PubChem CID
- 3594859
- EC Number
- 660-786-1
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 885
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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