Basic information
- CAS
853319-01-4- Standard SMILES
CCOC(=O)c1c(C(=O)OC(C)C)c(C(=O)OC(C)C)c2c3ccccc3cnn12- InChIKey
OKLKVYHVSOSXOK-UHFFFAOYSA-N- Molecular formula
- C22H24N2O6
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.16343649
Names & identifiers
- Preferred name
- 3-Ethyl 1,2-diisopropyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate
- IUPAC
- 3-O-ethyl 1-O,2-O-dipropan-2-yl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate
Names & synonyms
853319-01-43-ETHYL 1,2-DIISOPROPYL PYRROLO(2,1-A)PHTHALAZINE-1,2,3-TRICARBOXYLATE3-Ethyl 1,2-diisopropyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylateRefChem:501230661-725-1AKOS024435424
Database identifiers
- CAS
853319-01-4- PubChem CID
- 45051153
- EC Number
- 661-725-1
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 652
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, P273, 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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