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5-Aminoethyl-6-methylindan (HCID 12426124)|Huagongshe
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Compound
5-Aminoethyl-6-methylindan
HCID
12426124
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Cc1cc2c(cc1CCN)CCC2
InChIKey
YNEYTHROLOCCMG-UHFFFAOYSA-N
Molecular formula
C12H17N
Average molar mass
175.27 g/mol
Names & identifiers
Preferred name
5-Aminoethyl-6-methylindan
IUPAC
2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanamine
Names & synonyms
5-Aminoethyl-6-methylindan
SCHEMBL11482180
YNEYTHROLOCCMG-UHFFFAOYSA-N
Database identifiers
PubChem CID
12426124
Properties
Computed structural properties
XLogP
2.4
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
167
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Related reactions
5 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
143960
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
224331
As reactant
uspto-grants-1980_11
HRID
224332
As reactant
uspto-grants-1980_11
HRID
224335
As reactant
uspto-grants-1980_11
HRID
311418
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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Compound notes
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