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Compound
[3-[(Dimethylamino)methyl]-2-propylphenyl] acetate
HCID
13781007
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Basic information
Standard SMILES
CCCc1c(CN(C)C)cccc1OC(C)=O
InChIKey
JXLOANJQNLXUSA-UHFFFAOYSA-N
Molecular formula
C14H21NO2
Average molar mass
235.32 g/mol
Names & identifiers
Preferred name
[3-[(Dimethylamino)methyl]-2-propylphenyl] acetate
IUPAC
[3-[(dimethylamino)methyl]-2-propylphenyl] acetate
Database identifiers
PubChem CID
13781007
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
17
Formal charge
0
Complexity
240
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Related reactions
1 records
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As solvent
HRID
212841
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
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