Chemical identity

N-Methyl-N’-nitrosopiperazine-D4

CAS 756524-88-6 · C5H7D4N3O

01Identity

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

Lazychem IDLC-21390
PubChem CID145743995
NameN-Methyl-N’-nitrosopiperazine-D4
CAS RN756524-88-6
Molecular formulaC5H7D4N3O
Molecular weight133.18 g/mol
IUPAC name2,2,6,6-tetradeuterio-4-methyl-1-nitrosopiperazine
InChIKeyCEAIOKFZXJMDAS-CQOLUAMGSA-N

02Structure identifiers

2D structurePubChem CID 145743995
Two-dimensional chemical structure of N-Methyl-N’-nitrosopiperazine-D4, CAS 756524-88-6
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, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines2
N-methyl amine sites1
SMILES[2H]C1(CN(CC(N1N=O)([2H])[2H])C)[2H]
InChINot listed
Formula from structureC5H11N3O
Molecular weight from structure133.18 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-N’-nitrosopiperazine-D4 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-N’-nitrosopiperazine-D4, 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
C4H8N4O2
Candidate SMILES
[2H]C1([2H])CN(N=O)CC([2H])([2H])N1N=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 756524-88-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 756524-88-6 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

Nitroso

View API and impurity family

Other names

No synonyms are listed.

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