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(3,4-Dimethoxyphenyl)methylidene-dimethylazanium (HCID 21985356)|Huagongshe
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Compound
(3,4-Dimethoxyphenyl)methylidene-dimethylazanium
HCID
21985356
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COc1ccc(C=[N+](C)C)cc1OC
InChIKey
MJKPFPXAXNBKLZ-UHFFFAOYSA-N
Molecular formula
C11H16NO2+
Average molar mass
194.25 g/mol
Names & identifiers
Preferred name
(3,4-Dimethoxyphenyl)methylidene-dimethylazanium
IUPAC
(3,4-dimethoxyphenyl)methylidene-dimethylazanium
Names & synonyms
SCHEMBL27494221
Database identifiers
PubChem CID
21985356
Properties
Computed structural properties
XLogP
1.6
Topological polar surface area
21.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Formal charge
1
Complexity
199
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Related reactions
7 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
171016
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
681483
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
938951
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1143230
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1210221
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1548128
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
2141934
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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Compound notes
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