5-[(Dimethylamino)methyl]-2-ethoxybenzaldehyde
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Basic information
- CAS
883523-15-7- Standard SMILES
CCOc1ccc(CN(C)C)cc1C=O- InChIKey
RFYIHQCJXTXTEV-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
Names & identifiers
- Preferred name
- 5-[(Dimethylamino)methyl]-2-ethoxybenzaldehyde
- IUPAC
- 5-[(dimethylamino)methyl]-2-ethoxybenzaldehyde
- English name
- 5-[(Dimethylamino)methyl]-2-ethoxybenzaldehyde
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
5-[(Dimethylamino)methyl]-2-ethoxybenzaldehyde883523-15-75-((Dimethylamino)methyl)-2-ethoxybenzaldehydeAKOS000302036DB-358735ST50401365ASINEX-REAG BAS 13684407Benzaldehyde, 5-[(dimethylamino)methyl]-2-ethoxy-
Database identifiers
- CAS
883523-15-7
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 302.8 · 302.8±32.0 °C(Predicted)
- Density
- 1.045 · 1.045±0.06 g/cm3(Predicted)
- pka
- 8.68 · 8.68±0.28(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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