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(Q82307789)
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English
Benzoic acid, 4-[(2-methylpropyl)amino]-, ethyl ester
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
221.141578848
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₉NO₂
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canonical SMILES
CCOC(=O)C1=CC=C(C=C1)NCC(C)C
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Identifiers
InChI
InChI=1S/C13H19NO2/c1-4-16-13(15)11-5-7-12(8-6-11)14-9-10(2)3/h5-8,10,14H,4,9H2,1-3H3
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InChIKey
NAMIQWYTTBVWTO-UHFFFAOYSA-N
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CAS Registry Number
512175-79-0
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PubChem CID
12045611
1 reference
matched by identifier from
InChIKey
InChIKey
NAMIQWYTTBVWTO-UHFFFAOYSA-N
UniChem compound ID
42922467
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90476432
1 reference
matched by identifier from
InChIKey
InChIKey
NAMIQWYTTBVWTO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90427242
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