Basic information
- CAS
94300-94-4- Standard SMILES
CC(=O)c1cccc(N=Cc2c(O)ccc3ccccc23)c1- InChIKey
OLBUQQPDGSJGTI-UHFFFAOYSA-N- Molecular formula
- C19H15NO2
- Average molar mass
- 289.3 g/mol
- Monoisotopic mass
- 289.11027872
Names & identifiers
- Preferred name
- 3'-(2-Hydroxy-1-naphthylmethyleneamino)acetophenone
- IUPAC
- 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
Names & synonyms
3'-(2-HYDROXY-1-NAPHTHYLMETHYLENEAMINO)ACETOPHENONERefChem:484579635-657-894300-94-41-(3-(((2-Hydroxynaphthalen-1-yl)methylene)amino)phenyl)ethanone3'-(2-HYDROXY-NAPHTHALEN-1-YLMETHYLENEAMINO)ACETOPHENONE1-{3-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]phenyl}ethan-1-oneCBDivE_006219MLS001203623CHEMBL3191769DTXSID50425168OLBUQQPDGSJGTI-UDWIEESQSA-N
Show more names
HMS2844N121-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone1-{3-[(2-Hydroxy-naphthalen-1-ylmethylene)-amino]-phenyl}-ethanoneSTK085970AKOS000575013SMR000504920ST50217029AG-205/32540031
Database identifiers
- CAS
94300-94-4- PubChem CID
- 540985
- DTXSID
DTXSID50425168- ChEMBL
CHEMBL3191769- EC Number
- 635-657-8
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 420
Experimental & physicochemical properties
Solubility2.3 [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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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