1,3-Benzodioxole-5-carboxaldehyde, 6-[2-(dimethylamino)ethyl]-
Basic information
- CAS
35287-54-8- Standard SMILES
CN(C)CCc1cc2c(cc1C=O)OCO2- InChIKey
HKUPDWHLFKNFFQ-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-carboxaldehyde, 6-[2-(dimethylamino)ethyl]-
- IUPAC
- 6-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carbaldehyde
Names & synonyms
35287-54-86-(2-(Dimethylamino)ethyl)benzo[d][1,3]dioxole-5-carbaldehydeDTXSID704521781,3-Benzodioxole-5-carboxaldehyde, 6-[2-(dimethylamino)ethyl]-6-[2-(DIMETHYLAMINO)ETHYL]-2H-1,3-BENZODIOXOLE-5-CARBALDEHYDE2-dimethylaminoethyl-4,5-methylenedioxybenzaldehyde
Database identifiers
- CAS
35287-54-8- PubChem CID
- 11020437
- DTXSID
DTXSID70452178- Nikkaji
- J908.761C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
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Related reactions
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Compound notes
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