Chemical identity

N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide

CAS 1139453-98-7 · C14H20N4O3

01Identity

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

Lazychem IDLC-21349
PubChem CID23507600
NameN-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
CAS RN1139453-98-7
Molecular formulaC14H20N4O3
Molecular weight292.33 g/mol
IUPAC nameN-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
InChIKeyLSQRHFSGOUDQDS-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 23507600
Two-dimensional chemical structure of N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide, CAS 1139453-98-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines2
N-methyl amine sites1
SMILESCN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-]
InChINot listed
Formula from structureC14H20N4O3
Molecular weight from structure292.33 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C13H17N5O4
Candidate SMILES
CN(C(=O)CN1CCN(N=O)CC1)c1ccc([N+](=O)[O-])cc1

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

04India 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 1139453-98-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1139453-98-7 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.

05Names and relationships

Associated parent compound

Chemical

View associated product family

Other names

  • N,4-Dimethyl-N-(4-nitrophenyl)-1-piperazineacetamide 1 Piperazineacetamide, N,4-dimethyl-N-(4-nitrophenyl)- MFCD18207135
  • 1139453-98-7
  • N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
  • DTXSID00634602
  • RefChem:364417
  • DTXCID70585354
  • 813-785-7
  • 1-Piperazineacetamide, N,4-dimethyl-N-(4-nitrophenyl)-
  • N,4-Dimethyl-N-(4-nitrophenyl)-1-piperazineacetamide
  • MFCD18207135
  • N-Methyl-2-(4-methyl-1-piperazinyl)-N-(4-nitrophenyl)acetamide
  • Intedanib Impurity 12

Related records from the same parent family

06Documented 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.

07Sources