4-[Ethyl(phenylmethyl)amino]benzaldehyde
Basic information
- CAS
67676-47-5- Standard SMILES
CCN(Cc1ccccc1)c1ccc(C=O)cc1- InChIKey
YVBIDCBDRUUGEA-UHFFFAOYSA-N- Molecular formula
- C16H17NO
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.13101417
Names & identifiers
- Preferred name
- 4-[Ethyl(phenylmethyl)amino]benzaldehyde
- IUPAC
- 4-[benzyl(ethyl)amino]benzaldehyde
- English name
- 4-(N-Ethyl-N-benzyl)amino-benzoaldehyde
- Molecular formula
- C16H17NO
- Molecular weight
- 239.31
Names & synonyms
67676-47-54-(Ethyl(phenylmethyl)amino)benzaldehyde4-[Ethyl(phenylmethyl)amino]benzaldehydeRefChem:2889984-(Benzyl(ethyl)amino)benzaldehyde4-[benzyl(ethyl)amino]benzaldehydeN-Ethyl-N-benzyl-4-amino benzaldehyde4-(N-Ethyl-N-benzyl)amino-benzoaldehydeMFCD031472264-[ethylbenzylamino]benzaldehydeN-Ethyl-N-benzyl-4-aminobenzaldehyde4-(N-Ethylbenzylamino)benzaldehyde
Show more names
4-(N-Ethyl-N-benzyl)OTAVA-BB BB70204100104-(BENZYL-ETHYL-AMINO)-BENZALDEHYDEN-ETHYL-N-BENZYL-P- AMINOBENZALDEHYDE4-[ethyl-(phenylmethyl)amino]benzaldehydeBenzaldehyde, 4-[ethyl(phenylmethyl)amino]-
NSC135484Oprea1_742798SCHEMBL4747974DTXSID10300240YVBIDCBDRUUGEA-UHFFFAOYSA-NSBB016540AKOS0001153564-(N-Ethyl-N-benzyl)aminobenzaldehyde
Database identifiers
- CAS
67676-47-5- PubChem CID
- 282269
- DTXSID
DTXSID10300240- EC Number
- 614-101-8
- Nikkaji
- J29.580I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 296 · 296-298 °C
- Boiling point
- 404 · 404.0±38.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.92 · 1.92±0.50(Predicted)
- CAS DataBase Reference
- 67676 · 67676-47-5(CAS DataBase Reference)
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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Related reactions
1 records
Compound notes
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