Chemical identity

Cyclen

CAS 294-90-6 · C8H20N4

01Identity

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

Lazychem IDLC-100996
PubChem CID64963
NameCyclen
CAS RN294-90-6
Molecular formulaC8H20N4
Molecular weight172.27 g/mol
IUPAC name1,4,7,10-tetrazacyclododecane
InChIKeyQBPPRVHXOZRESW-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 64963
Two-dimensional chemical structure of Cyclen, CAS 294-90-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines4
Tertiary amines0
N-methyl amine sites0
SMILESC1CNCCNCCNCCN1
InChINot listed
Formula from structureC8H20N4
Molecular weight from structure172.27 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 Cyclen 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 Cyclen, 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
C8H19N5O
Candidate SMILES
O=NN1CCNCCNCCNCC1

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 294-90-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 294-90-6 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

No parent compound is listed.

Other names

  • Cyclen
  • 1,4,7,10-Tetraazacyclododecane
  • 294-90-6
  • tetraaza-12-crown-4
  • 964584YO2O
  • NSC-629374
  • CHEBI:37391
  • DTXSID60183621
  • RefChem:129186
  • DTXCID00106112
  • 425-450-9
  • 608-365-3

Related records from the same parent family

No related records are linked by parent name.

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