2-(4-Bromophenyl)imidazo[2,1-a]phthalazin-6-amine
Basic information
- CAS
565169-58-6- Standard SMILES
Nc1nn2cc(-c3ccc(Br)cc3)nc2c2ccccc12- InChIKey
ILCFXOKVYROPRQ-UHFFFAOYSA-N- Molecular formula
- C16H11BrN4
- Average molar mass
- 339.19 g/mol
- Monoisotopic mass
- 338.01671
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)imidazo[2,1-a]phthalazin-6-amine
- IUPAC
- 2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine
Names & synonyms
2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine565169-58-62-(4-Bromo-phenyl)-imidazo[2,1-a]phthalazin-6-ylamineMLS001006497SMR000349460C16H11BrN4CHEMBL1548613BDBM65517cid_3673394DTXSID901320234AKOS034464952CS-0220045
Show more names
EN300-05615G353262-(4-bromophenyl)-6-imidazo[2,1-a]phthalazinamineZ56904749[2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-yl]amine
Database identifiers
- CAS
565169-58-6- PubChem CID
- 3673394
- DTXSID
DTXSID901320234- ChEMBL
CHEMBL1548613- EC Number
- 156-682-6
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
Solubility0.4 [ug/mL] (The mean of the results at pH 7.4)
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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