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(Q82146555)
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English
Methyl 4-(4-methylpiperazin-1-yl)benzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
234.2947
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈N₂O₂
0 references
canonical SMILES
CN1CCN(CC1)C2=CC=C(C=C2)C(=O)OC
0 references
Identifiers
InChI
InChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17-2/h3-6H,7-10H2,1-2H3
0 references
InChIKey
LXCXOZWVDWCOCC-UHFFFAOYSA-N
0 references
CAS Registry Number
354813-14-2
0 references
PubChem CID
1472668
1 reference
matched by identifier from
InChIKey
InChIKey
LXCXOZWVDWCOCC-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL65696
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LXCXOZWVDWCOCC-UHFFFAOYSA-N
UniChem compound ID
24795777
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30363014
1 reference
matched by identifier from
InChIKey
InChIKey
LXCXOZWVDWCOCC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30314061
0 references
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