Chemical identity

Decylaminoquat (HBr salt)

CAS 2247938-20-9 · C19H44Br2N2

01Identity

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

Lazychem IDLC-11406
PubChem CID71315257
NameDecylaminoquat (HBr salt)
CAS RN2247938-20-9
Molecular formulaC19H44Br2N2
Molecular weight460.37 g/mol
IUPAC name6-(decylamino)-N,N,N-trimethylhexan-1-aminium bromide hydrobromide; 6-(decylamino)-N,N,N-trimethyl-1-Hexanaminium bromide hydrobromide
InChIKeyQZSDFHUIVGPKIS-UHFFFAOYSA-M

02Structure identifiers

2D structurePubChem CID 71315257
Two-dimensional chemical structure of Decylaminoquat (HBr salt), CAS 2247938-20-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count0
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESCCCCCCCCCCNCCCCCC[N+](C)(C)C.Br.[Br-]
InChINot listed
Formula from structureC19H44Br2N2
Molecular weight from structure460.37 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 Decylaminoquat (HBr salt) 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 Decylaminoquat (HBr salt), 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
C19H43Br2N3O
Candidate SMILES
Br.CCCCCCCCCCN(CCCCCC[N+](C)(C)C)N=O.[Br-]

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 2247938-20-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2247938-20-9 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

Colsevelam

View associated product family

Other names

  • Colesevelam Impurity 3/Decylaminoquat (HBr salt)
  • Colesevelam Impurity 3 (HBr salt)
  • Decylaminoquat (HBr salt)
  • 6-(Decylamino)hexyltrimethylammonium Bromide Hydrobromide

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