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N-[4-(benzyloxy)butyl]-N-propylamine (HCID 21087152)|Huagongshe
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Compound
N-[4-(benzyloxy)butyl]-N-propylamine
HCID
21087152
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCNCCCCOCc1ccccc1
InChIKey
CCSNZFXMLMZFJX-UHFFFAOYSA-N
Molecular formula
C14H23NO
Average molar mass
221.34 g/mol
Monoisotopic mass
221.17796436
Names & identifiers
Preferred name
N-[4-(benzyloxy)butyl]-N-propylamine
IUPAC
4-phenylmethoxy-N-propylbutan-1-amine
Names & synonyms
SCHEMBL3355572
CCSNZFXMLMZFJX-UHFFFAOYSA-N
AKOS011733299
N-[4-(benzyloxy)butyl]-N-propylamine
Database identifiers
PubChem CID
21087152
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
16
Formal charge
0
Complexity
144
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Related reactions
10 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
14042
As product
uspto-grants-2010_06
HRID
14043
As reactant
uspto-grants-2010_06
HRID
208148
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
291474
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
348836
As product
uspto-grants-2007_02
HRID
348837
As reactant
uspto-grants-2007_02
HRID
1350995
As product
uspto-grants-2007_05
HRID
1350996
As reactant
uspto-grants-2007_05
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