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2-(Benzyloxy)-6-butylpyridine (HCID 66626481)|Huagongshe
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Compound
2-(Benzyloxy)-6-butylpyridine
HCID
66626481
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCc1cccc(OCc2ccccc2)n1
InChIKey
HSGYANAWPHIBTO-UHFFFAOYSA-N
Molecular formula
C16H19NO
Average molar mass
241.33 g/mol
Names & identifiers
Preferred name
2-(Benzyloxy)-6-butylpyridine
IUPAC
2-butyl-6-phenylmethoxypyridine
Names & synonyms
SCHEMBL226611
2-(Benzyloxy)-6-butylpyridine
HSGYANAWPHIBTO-UHFFFAOYSA-N
Database identifiers
PubChem CID
66626481
Properties
Computed structural properties
XLogP
4.8
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
18
Formal charge
0
Complexity
213
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Related reactions
16 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
495246
As product
uspto-grants-2009_05
HRID
495247
As reactant
uspto-grants-2009_05
HRID
909849
As product
uspto-grants-2011_09
HRID
909850
As reactant
uspto-grants-2011_09
HRID
958170
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1471241
As product
uspto-grants-2015_04
HRID
1471242
As reactant
uspto-grants-2015_04
HRID
1555967
As product
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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