Basic information
- CAS
20041-26-3- Standard SMILES
CCOc1ccc(N=CC=Cc2ccccc2)cc1- InChIKey
BIPJQHNMXIQBES-UHFFFAOYSA-N- Molecular formula
- C17H17NO
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.13101417
Names & identifiers
- Preferred name
- Benzenamine, 4-ethoxy-N-(3-phenyl-2-propenylidene)-
- IUPAC
- N-(4-ethoxyphenyl)-3-phenylprop-2-en-1-imine
Names & synonyms
20041-26-3Benzenamine, 4-ethoxy-N-(3-phenyl-2-propenylidene)-DTXSID30393553(1E)-N-(4-Ethoxyphenyl)-3-phenylprop-2-en-1-imine
Database identifiers
- CAS
20041-26-3- PubChem CID
- 3549865
- DTXSID
DTXSID30393553- EC Number
- 667-564-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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