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(Q72495662)
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English
4-(4-Methylpiperazin-1-ylmethyl)-3-trifluoromethylaniline
chemical compound
4-((4-Methylpiperazin-1-yl)methyl)-3-trifluoromethylphenylamine
4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)benzenamine
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
273.145282236
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₈F₃N₃
0 references
canonical SMILES
CN1CCN(CC1)CC2=C(C=C(C=C2)N)C(F)(F)F
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Identifiers
InChI
InChI=1S/C13H18F3N3/c1-18-4-6-19(7-5-18)9-10-2-3-11(17)8-12(10)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
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InChIKey
ZMWAZMYBMAAMAW-UHFFFAOYSA-N
0 references
CAS Registry Number
694499-26-8
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PubChem CID
46838908
1 reference
matched by identifier from
InChIKey
InChIKey
ZMWAZMYBMAAMAW-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL273351
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZMWAZMYBMAAMAW-UHFFFAOYSA-N
UniChem compound ID
24536743
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60676604
1 reference
matched by identifier from
InChIKey
InChIKey
ZMWAZMYBMAAMAW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60627353
0 references
UNII
KFW56NE7FT
1 reference
matched by identifier from
InChIKey
InChIKey
ZMWAZMYBMAAMAW-UHFFFAOYSA-N
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