Basic information
- CAS
198827-27-9- Standard SMILES
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccncc1- InChIKey
MICSRMBZPCOSOE-UHFFFAOYSA-N- Molecular formula
- C22H26N2O2
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.19942808
Names & identifiers
- Preferred name
- 3,3,6,6-Tetramethyl-9-(4-pyridinyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
- IUPAC
- 3,3,6,6-tetramethyl-9-pyridin-4-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Names & synonyms
198827-27-93,3,6,6-TETRAMETHYL-9-(4-PYRIDINYL)-3,4,6,7,9,10-HEXAHYDRO-1,8(2H,5H)-ACRIDINEDIONERefChem:485195664-851-53,3,6,6-Tetramethyl-9-(pyridin-4-yl)-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dioneOprea1_132736Oprea1_742858SCHEMBL8187773MICSRMBZPCOSOE-UHFFFAOYSA-NAKOS024320945ST50440333Z56784150
Show more names
3,3,6,6-tetramethyl-9-(4-pyridyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione3,4,6,7,9,10-hexahydro-3,3,6,6-tetramethyl-9-(4-pyridyl)-1,8(2H,5H)-acridinedione
Database identifiers
- CAS
198827-27-9- PubChem CID
- 5227640
- EC Number
- 664-851-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 668
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
2 records
Compound notes
Loading…