Chemical identity

Atrazine-D5

CAS 163165-75-1 · C8H9D5ClN5

01Identity

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

Lazychem IDLC-07161
PubChem CID12306645
NameAtrazine-D5
CAS RN163165-75-1
Molecular formulaC8H9D5ClN5
Molecular weight220.72 g/mol
IUPAC name6-Chloro-N2-(ethyl-d5)-N4-isopropyl-1,3,5-triazine-2,4-diamine
InChIKeyMXWJVTOOROXGIU-SGEUAGPISA-N

02Structure identifiers

2D structurePubChem CID 12306645
Two-dimensional chemical structure of Atrazine-D5, CAS 163165-75-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines2
Tertiary amines0
N-methyl amine sites0
SMILES[2H]C([2H])([2H])C([2H])([2H])NC1=NC(=NC(=N1)Cl)NC(C)C
InChINot listed
Formula from structureC8H14ClN5
Molecular weight from structure220.72 g/mol

03Possible N-nitroso structures

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

Matched amine site2 candidates
Chemical structure of Atrazine-D5 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 Atrazine-D5, 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
C8H13ClN6O
Candidate SMILES
[2H]C([2H])([2H])C([2H])([2H])N(N=O)c1nc(Cl)nc(NC(C)C)n1
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C8H13ClN6O
Candidate SMILES
[2H]C([2H])([2H])C([2H])([2H])Nc1nc(Cl)nc(N(N=O)C(C)C)n1

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 163165-75-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 163165-75-1 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

Atrazine

View API and impurity family

Other names

  • 1, 3, 5-Triazine-2, 4-diamine, 6-chloro-N-(ethyl-d5)-N'-(1-methylethyl)- (9CI)
  • 2-Chloro-4-pentadeuteroethylamino-6-isopropylamino-1, 3, 5-triazine

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