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(Q82296875)
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English
(3R)-1-(4-Fluoro-benzyl)-3-methyl-piperazine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
208.137576764
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₇FN₂
0 references
canonical SMILES
CC1CN(Cc2ccc(F)cc2)CCN1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]1CN(CCN1)CC2=CC=C(C=C2)F
0 references
Identifiers
InChI
InChI=1S/C12H17FN2/c1-10-8-15(7-6-14-10)9-11-2-4-12(13)5-3-11/h2-5,10,14H,6-9H2,1H3/t10-/m1/s1
0 references
InChIKey
NPIPCQHHNIFPQW-SNVBAGLBSA-N
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CAS Registry Number
422270-29-9
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PubChem CID
11600914
1 reference
matched by identifier from
InChIKey
InChIKey
NPIPCQHHNIFPQW-SNVBAGLBSA-N
UniChem compound ID
32712669
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70469246
1 reference
matched by identifier from
InChIKey
InChIKey
NPIPCQHHNIFPQW-SNVBAGLBSA-N
DSSTOX compound identifier
DTXCID80420065
0 references
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