Basic information
- CAS
80061-31-0- Standard SMILES
O=C1CCCc2[nH]c3ccccc3c(=O)c21- InChIKey
YGMIHUBFTQHKJX-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.07897859
Names & identifiers
- Preferred name
- 3,4-Dihydro-1,9(2H,10H)-acridinedione
- IUPAC
- 2,3,4,10-tetrahydroacridine-1,9-dione
Names & synonyms
3,4-Dihydro-1,9(2H,10H)-acridinedione80061-31-0DTXSID90873083RefChem:270941DTXCID80820581651-822-73,4-Dihydroacridine-1,9(2H,10H)-dione2,3,4,10-tetrahydroacridine-1,9-dioneAKOS024015282
Database identifiers
- CAS
80061-31-0- PubChem CID
- 4100565
- DTXSID
DTXSID90873083- EC Number
- 651-822-7
- Nikkaji
- J1.111.392C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 383
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
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 CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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