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N,N-diethylhexa-2,4-dienamide (HCID 347411)|Huagongshe
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Compound
N,N-diethylhexa-2,4-dienamide
HCID
347411
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Properties
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Compound notes
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Basic information
Standard SMILES
CC=CC=CC(=O)N(CC)CC
InChIKey
AIXGDJDDFHMRGM-UHFFFAOYSA-N
Molecular formula
C10H17NO
Average molar mass
167.25 g/mol
Monoisotopic mass
167.13101417
Names & identifiers
Preferred name
N,N-diethylhexa-2,4-dienamide
IUPAC
N,N-diethylhexa-2,4-dienamide
Names & synonyms
SCHEMBL9030008
Database identifiers
PubChem CID
347411
Properties
Computed structural properties
XLogP
1.9
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
178
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Related reactions
1 records
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As reactant
As product
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As solvent
HRID
687402
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
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