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3-Amino-1,1-dichloro-3-methylpentan-2-one (HCID 18372007)|Huagongshe
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Compound
3-Amino-1,1-dichloro-3-methylpentan-2-one
HCID
18372007
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCC(C)(N)C(=O)C(Cl)Cl
InChIKey
MUDFZGLBIKBVMC-UHFFFAOYSA-N
Molecular formula
C6H11Cl2NO
Average molar mass
184.06 g/mol
Monoisotopic mass
183.0217694
Names & identifiers
Preferred name
3-Amino-1,1-dichloro-3-methylpentan-2-one
IUPAC
3-amino-1,1-dichloro-3-methylpentan-2-one
Names & synonyms
SCHEMBL8039550
Database identifiers
PubChem CID
18372007
Properties
Computed structural properties
XLogP
1.5
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
10
Formal charge
0
Complexity
138
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Related reactions
3 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
826693
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1540424
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
2341242
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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