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Compound
1-chloro-N,N-dimethylethenamine
HCID
19010376
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
C=C(Cl)N(C)C
InChIKey
BRLVAADCUUVYBX-UHFFFAOYSA-N
Molecular formula
C4H8ClN
Average molar mass
105.56 g/mol
Monoisotopic mass
105.034527
Names & identifiers
Preferred name
1-chloro-N,N-dimethylethenamine
IUPAC
1-chloro-N,N-dimethylethenamine
Names & synonyms
SCHEMBL2406400
1-chloro-N,N-dimethylethenamine
BRLVAADCUUVYBX-UHFFFAOYSA-N
Database identifiers
PubChem CID
19010376
Properties
Computed structural properties
XLogP
1.8
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
6
Formal charge
0
Complexity
58
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Related reactions
8 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
872379
As reactant
uspto-grants-2015_03
HRID
872380
As reactant
uspto-grants-2015_03
HRID
934382
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1575567
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
1916779
As reactant
uspto-grants-2013_12
HRID
1916780
As reactant
uspto-grants-2013_12
HRID
2067041
As reactant
uspto-grants-2012_10
HRID
2067042
As reactant
uspto-grants-2012_10
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Compound notes
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