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Dimethyl-[(4-methylphenyl)methyl]-phenylazanium (HCID 18965749)|Huagongshe
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Compound
Dimethyl-[(4-methylphenyl)methyl]-phenylazanium
HCID
18965749
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
Cc1ccc(C[N+](C)(C)c2ccccc2)cc1
InChIKey
ONRGBXGMVZEZLY-UHFFFAOYSA-N
Molecular formula
C16H20N+
Average molar mass
226.34 g/mol
Names & identifiers
Preferred name
Dimethyl-[(4-methylphenyl)methyl]-phenylazanium
IUPAC
dimethyl-[(4-methylphenyl)methyl]-phenylazanium
Names & synonyms
SCHEMBL565173
Database identifiers
PubChem CID
18965749
Nikkaji
J637.285F
Properties
Computed structural properties
XLogP
3.7
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
3
Heavy atoms
17
Formal charge
1
Complexity
220
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Related reactions
1 records
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As reactant
As product
As reagent
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As solvent
HRID
167839
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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