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1-(Dimethylamino)-4-octadeca-9,12-dienoxybutan-2-ol (HCID 76763333)|Huagongshe
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Compound
1-(Dimethylamino)-4-octadeca-9,12-dienoxybutan-2-ol
HCID
76763333
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCC=CCC=CCCCCCCCCOCCC(O)CN(C)C
InChIKey
PAZKDECNAOLZDY-UHFFFAOYSA-N
Molecular formula
C24H47NO2
Average molar mass
381.6 g/mol
Names & identifiers
Preferred name
1-(Dimethylamino)-4-octadeca-9,12-dienoxybutan-2-ol
IUPAC
1-(dimethylamino)-4-octadeca-9,12-dienoxybutan-2-ol
Names & synonyms
SCHEMBL1128167
Database identifiers
PubChem CID
76763333
Properties
Computed structural properties
XLogP
7.1
Topological polar surface area
32.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
20
Heavy atoms
27
Formal charge
0
Complexity
339
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
209605
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
823181
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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