Chemical identity

3-Cyano-4-isobutoxybenzamide

CAS 161718-85-0 · C12H14N2O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-15092
PubChem CID67813728
Name3-Cyano-4-isobutoxybenzamide
CAS RN161718-85-0
Molecular formulaC12H14N2O2
Molecular weight218.26 g/mol
IUPAC name3-cyano-4-isobutoxybenzamide
InChIKeyYBYPAAVYKHMZAJ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 67813728
Two-dimensional chemical structure of 3-Cyano-4-isobutoxybenzamide, CAS 161718-85-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)COC1=C(C=C(C=C1)C(=O)N)C#N
InChINot listed
Formula from structureC12H14N2O2
Molecular weight from structure218.26 g/mol

03India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 161718-85-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 161718-85-0 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

04Names and relationships

Associated parent compound

Febuxostat

View API and impurity family

Other names

  • Febuxostat Impurity 47
  • 3-Cyano-4-isobutoxybenzamide
  • 161718-85-0
  • 3-cyano-4-(2-methylpropoxy)benzamide
  • Febuxostat Impurity Z15
  • SCHEMBL9280025
  • DTXSID90737671
  • AKOS022173220
  • Benzamide, 3-cyano-4-(2-methylpropoxy)-

Related records from the same parent family

05Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

06Sources