3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
Basic information
- CAS
721418-41-3- Standard SMILES
CCCCn1nc(C(=O)O)c2ccccc2c1=O- InChIKey
OWSDLAPHEMKEAS-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- 3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
- IUPAC
- 3-butyl-4-oxophthalazine-1-carboxylic acid
Names & synonyms
3-butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid721418-41-3RefChem:499519998-088-73-Butyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid3-butyl-4-oxophthalazine-1-carboxylic acid3-butyl-4-oxo-phthalazine-1-carboxylic AcidAKOS000117782AT35114CS-0219539EN300-04276Z56862310
Show more names
3-butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylicacid
Database identifiers
- CAS
721418-41-3- PubChem CID
- 2396446
- EC Number
- 998-088-7
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
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%)
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Related reactions
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Compound notes
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