Basic information
- CAS
380437-35-4- Standard SMILES
CC(C)(C)C1CC(=Cc2ccc(Cl)cc2)c2nc3ccccc3c(C(=O)O)c2C1- InChIKey
UGFOTXAVNSQNBM-UHFFFAOYSA-N- Molecular formula
- C25H24ClNO2
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1495567
Names & identifiers
- Preferred name
- 2-Tert-butyl-4-[(4-chlorophenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid
- IUPAC
- 2-tert-butyl-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
- English name
- 2-tert-Butyl-4-(4-chloro-benzylidene)-1,2,3,4-tetrahydro-acridine-9-carboxylic acid
- Molecular formula
- C25H24ClNO2
- Molecular weight
- 405.92
Names & synonyms
2-tert-butyl-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid2-tert-butyl-4-[(4-chlorophenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid380437-35-4AKOS030655396G76001F9859722-tert-butyl-4-[(4-chlorophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid2-tert-Butyl-4-(4-chloro-benzylidene)-1,2,3,4-tetrahydro-acridine-9-carboxylic acid4-[(4-Chlorophenyl)methylene]-2-(tert-butyl)-1,2,3,4-tetrahydro-9-acridinecarboxylic acid(4Z)-2-tert-butyl-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid$%$(Z)-2-(tert-butyl)-4-(4-chlorobenzylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid#%#4-[(4-Chlorophenyl)methylene]-2-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-9-acridinecarboxylic acid
Show more names
9-Acridinecarboxylic acid, 4-[(4-chlorophenyl)methylene]-2-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-
Database identifiers
- CAS
380437-35-4- PubChem CID
- 3696636
- EC Number
- 138-968-2
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 631
Physicochemical properties
- Boiling point
- 568.3 · 568.3±50.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 1.02 · 1.02±0.40(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers3 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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