Basic information
- CAS
25394-78-9- Standard SMILES
NC(CN(Cc1ccccc1)c1ccccc1)=NO- InChIKey
GOAZMLKQUGCOPO-UHFFFAOYSA-N- Molecular formula
- C15H17N3O
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.13716217
Names & identifiers
- Preferred name
- CID 31044
- IUPAC
- 2-(N-benzylanilino)-N'-hydroxyethanimidamide
- English name
- Cetoxime
- Molecular formula
- C15H17N3O
- Molecular weight
- 255.32
Names & synonyms
25394-78-9SCHEMBL138303CID 31044CetoximaCetoximeCetoximumCetoxime [inn:ban]Cetoxime USP/EP/BP2-N-Benzylanilinoacetamidoxime2-(N-Benzylanilino)acetamidoxin2-[Phenyl(phenylmethyl)amino]acetamide oximeEthanimidamide, N-hydroxy-2-[phenyl(phenylmethyl)amino]-
Database identifiers
- CAS
25394-78-9- PubChem CID
- 31044
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 107 · 107-108°
- Boiling point
- 427.4 · 427.4±55.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 14.72 · 14.72±0.50(Predicted)
- FDA UNII
- 4 LRJ01Q0O · Y4LRJ01Q0O
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Additional notes
DefinitionChEBI: Cetoxime is an aromatic amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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