2-[2-(Dimethylamino)ethoxy]-3-methoxybenzaldehyde
Basic information
- CAS
883549-58-4- Standard SMILES
COc1cccc(C=O)c1OCCN(C)C- InChIKey
RSBAQYRFUAYLDM-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- 2-[2-(Dimethylamino)ethoxy]-3-methoxybenzaldehyde
- IUPAC
- 2-[2-(dimethylamino)ethoxy]-3-methoxybenzaldehyde
- English name
- 2-(2-Dimethylamino-ethoxy)-3-methoxy-benzaldehyde
- Molecular formula
- C12H17NO3
- Molecular weight
- 223.27
Names & synonyms
883549-58-42-[2-(dimethylamino)ethoxy]-3-methoxybenzaldehyde2-(2-Dimethylamino-ethoxy)-3-methoxy-benzaldehyde2-(2-(Dimethylamino)ethoxy)-3-methoxybenzaldehydeSCHEMBL2820615DTXSID70424719RSBAQYRFUAYLDM-UHFFFAOYSA-NAKOS000104023CS-0118903ST504014262-[2-(dimethylamino)ethoxy]-3-methoxy-benzaldehydeAKOS BC-2180
Show more names
OTAVA-BB 7020682694CHEMBRDG-BB 9070517Benzaldehyde, 2-[2-(dimethylamino)ethoxy]-3-methoxy-2-[2-(dimethylamino)ethoxy]-3-methoxybenzaldehyde(SALTDATA: HCl)
Database identifiers
- CAS
883549-58-4- PubChem CID
- 6504243
- DTXSID
DTXSID70424719
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- 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
Suppliers
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Related reactions
2 records
Compound notes
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