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Compound
(4-Tert-butylphenyl)methylidene-dimethylazanium
HCID
21985369
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
C[N+](C)=Cc1ccc(C(C)(C)C)cc1
InChIKey
KEORSELLJCYMAH-UHFFFAOYSA-N
Molecular formula
C13H20N+
Average molar mass
190.3 g/mol
Names & identifiers
Preferred name
(4-Tert-butylphenyl)methylidene-dimethylazanium
IUPAC
(4-tert-butylphenyl)methylidene-dimethylazanium
Database identifiers
PubChem CID
21985369
Properties
Computed structural properties
XLogP
3.2
Topological polar surface area
3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
14
Formal charge
1
Complexity
198
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
114829
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1113457
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
2147242
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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