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N-[4-(1-aminoethyl)-2-methylphenyl]methanesulfonamide (HCID 70968436)|Huagongshe
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Compound
N-[4-(1-aminoethyl)-2-methylphenyl]methanesulfonamide
HCID
70968436
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
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Basic information
Standard SMILES
Cc1cc(C(C)N)ccc1NS(C)(=O)=O
InChIKey
RHVZYKRHGJYXJF-UHFFFAOYSA-N
Molecular formula
C10H16N2O2S
Average molar mass
228.31 g/mol
Names & identifiers
Preferred name
N-[4-(1-aminoethyl)-2-methylphenyl]methanesulfonamide
IUPAC
N-[4-(1-aminoethyl)-2-methylphenyl]methanesulfonamide
Names & synonyms
SCHEMBL13685630
Database identifiers
PubChem CID
70968436
Properties
Computed structural properties
XLogP
0.5
Topological polar surface area
80.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
297
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Related reactions
30 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
100442
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
110089
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
111282
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
119486
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
147356
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
165836
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
305277
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
307923
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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