Chemical identity

Creatine Hydrate

CAS 6020-87-7 · C4H11N3O3

01Identity

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

Lazychem IDLC-11455
PubChem CID80116
NameCreatine Hydrate
CAS RN6020-87-7
Molecular formulaC4H11N3O3
Molecular weight149.15 g/mol
IUPAC name2-(1-Methylguanidino)acetic acid hydrate
InChIKeyMEJYXFHCRXAUIL-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 80116
Two-dimensional chemical structure of Creatine Hydrate, CAS 6020-87-7
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count0
Secondary amines0
Tertiary amines1
N-methyl amine sites1
SMILESO=C(O)CN(C)C(N)=N.[H]O[H]
InChINot listed
Formula from structureC4H11N3O3
Molecular weight from structure149.15 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 Creatine Hydrate 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 Creatine Hydrate, 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
C3H8N4O4
Candidate SMILES
N=C(N)N(CC(=O)O)N=O.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 6020-87-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 6020-87-7 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

Chemical

View associated product family

Other names

  • N-(Aminoiminomethyl)-N-methylglycine monohydrate
  • 2-(N-methylcarbamimidamido)acetic acid hydrate

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