3-[(Diethylamino)methyl]-4-methoxybenzaldehyde
Basic information
- CAS
128501-82-6- Standard SMILES
CCN(CC)Cc1cc(C=O)ccc1OC- InChIKey
NWINHGROAQWCPR-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- 3-[(Diethylamino)methyl]-4-methoxybenzaldehyde
- IUPAC
- 3-(diethylaminomethyl)-4-methoxybenzaldehyde
- English name
- 3-DIETHYLAMINOMETHYL-4-METHOXY-BENZALDEHYDE
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
3-[(diethylamino)methyl]-4-methoxybenzaldehyde128501-82-63-Diethylaminomethyl-4-methoxy-benzaldehyde3-((Diethylamino)methyl)-4-methoxybenzaldehyde3-(diethylaminomethyl)-4-methoxybenzaldehydeMFCD01822193Benzaldehyde, 3-[(diethylamino)methyl]-4-methoxy-3-Diethylaminomethyl-4-methoxybenzaldehydeOprea1_323036SCHEMBL2843892DTXSID20343608ALBB-003750
Show more names
AKOS B020872CHEMBRDG-BB 4004183ART-CHEM-BB B0208723-[(diethylamino)methyl]-4-methoxybenzaldehyde(SALTDATA: FREE)
BBL009229SBB017352STK298879AKOS000300186ST078320VS-02031DB-028958CS-0206301
Database identifiers
- CAS
128501-82-6- PubChem CID
- 590897
- DTXSID
DTXSID20343608
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 314.5 · 314.5±32.0 °C(Predicted)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- pka
- 9.61 · 9.61±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- 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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
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