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English
(3R)-1-[1-(4-Fluorophenyl)ethyl]-3-methylpiperazine
group of stereoisomers with the chemical formula C₁₃H₁₉FN₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
222.153226828
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₉FN₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CN(C(C)c2ccc(F)cc2)CCN1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(c1ccc(F)cc1)N1CCN[C@H](C)C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H19FN2/c1-10-9-16(8-7-15-10)11(2)12-3-5-13(14)6-4-12/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11?/m1/s1
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InChIKey
FZPXVUQHMAPXQZ-NFJWQWPMSA-N
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CAS Registry Number
672293-44-6
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PubChem CID
58863510
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58791419
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20730453
0 references
DSSTOX compound identifier
DTXCID60681197
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