Chemical identity

Mono nitroso Trientine

CAS 2817316-41-7 · C6H17N5O

01Identity

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

Lazychem IDLC-20566
PubChem CID87376084
NameMono nitroso Trientine
CAS RN2817316-41-7
Molecular formulaC6H17N5O
Molecular weight175.23 g/mol
IUPAC nameN-(2-aminoethyl)-N-(2-((2-aminoethyl)amino)ethyl)nitrous amide
InChIKeyAJGXTBJITHWOQH-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 87376084
Two-dimensional chemical structure of Mono nitroso Trientine, CAS 2817316-41-7
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 an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count0
Secondary amines1
Tertiary amines1
N-methyl amine sites0
SMILESO=NN(CCN)CCNCCN
InChINot listed
Formula from structureC6H17N5O
Molecular weight from structure175.23 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 Mono nitroso Trientine 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 Mono nitroso Trientine, 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
C6H16N6O2
Candidate SMILES
NCCN(CCN(CCN)N=O)N=O

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 2817316-41-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2817316-41-7 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

Trientine

View associated product family

Other names

  • Mononitroso Trientine Dihydrochloride

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