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(Q82570137)
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English
4-{[(2,4,6-Trimethylphenyl)methyl]amino}benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
269.141578848
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₉NO₂
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canonical SMILES
CC1=CC(=C(C(=C1)C)CNC2=CC=C(C=C2)C(=O)O)C
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Identifiers
InChI
InChI=1S/C17H19NO2/c1-11-8-12(2)16(13(3)9-11)10-18-15-6-4-14(5-7-15)17(19)20/h4-9,18H,10H2,1-3H3,(H,19,20)
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InChIKey
CPIVNCCDDXHDCA-UHFFFAOYSA-N
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CAS Registry Number
88744-61-0
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PubChem CID
43321680
1 reference
matched by identifier from
InChIKey
InChIKey
CPIVNCCDDXHDCA-UHFFFAOYSA-N
UniChem compound ID
57448275
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00655832
1 reference
matched by identifier from
InChIKey
InChIKey
CPIVNCCDDXHDCA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60606582
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