1,2,3,4-Tetrahydroacridone
Basic information
- CAS
13161-85-8- Standard SMILES
O=c1c2c([nH]c3ccccc13)CCCC2- InChIKey
CVEXTAUZJWYDJX-UHFFFAOYSA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.09971404
Overview
1,3,4,10-Tetrahydro-9(2H)-acridinone is a member of acridines.
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydroacridone
- IUPAC
- 2,3,4,10-tetrahydro-1H-acridin-9-one
- English name
- 1,2,3,4-Tetrahydro-acridin-9-ol
- Molecular formula
- C13H13NO
- Molecular weight
- 199.25
Names & synonyms
13161-85-89(2H)-Acridinone, 1,3,4,10-tetrahydro-1,2,3,4-Tetrahydro-9-acridanone1,3,4,10-Tetrahydro-9(2H)-acridinone1,2,3,4-Tetrahydro-9(10H)-acridoneAFR4CG6V1E1,2,3,4-TetrahydroacridoneNSC 46875NSC-46875DTXSID801571429-ACRIDANONE, 1,2,3,4-TETRAHYDRO-1,2,3,4-TETRAHYDRO-9[10H]-ACRIDONE
Show more names
1,2,3,4-Tetrahydro-acridin-9-ol9-Acridinol, 1,2,3,4-tetrahydro-
RefChem:410556DTXCID0079633626-138-71,3,4,10-tetrahydroacridin-9(2H)-one2,3,4,10-tetrahydro-1H-acridin-9-one1,2,3,4-tetrahydroacridin-9-ol1,2,3,4,9,10-Hexahydroacridin-9-one1,2,3,4-Tetrahydroacridin-9(10H)-one
Database identifiers
- CAS
13161-85-8、56717-04-5- PubChem CID
- 95996
- DTXSID
DTXSID80157142- ChEMBL
CHEMBL602366- ChEBI
CHEBI:170033- UNII
- AFR4CG6V1E
- EC Number
- 626-138-7
- Nikkaji
- J236.658D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 318
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Additional notes
DefinitionChEBI: 1,3,4,10-Tetrahydro-9(2H)-acridinone is a member of acridines.
Suppliers
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Related reactions
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Compound notes
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