Completing data — usually done within a minute
Basic information
- CAS
60-27-5- Standard SMILES
CN1CC(=O)N=C1N- InChIKey
DDRJAANPRJIHGJ-UHFFFAOYSA-N- Molecular formula
- C4H7N3O
- Average molar mass
- 113.12 g/mol
Overview
Creatinine is a lactam obtained by formal cyclocondensation of creatine. It is a metabolite of creatine. It has a role as a diagnostic agent and a human metabolite. It is a lactam and an imidazolidinone. It is functionally related to a creatine.
Names & identifiers
- Preferred name
- creatinine
- IUPAC
- 2-amino-3-methyl-4H-imidazol-5-one
Names & synonyms
2-Imino-1-methylimidazolidin-4-one1-Methylglycocyamidine1-Methylhydantoin-2-imideKreatininCreatinine,heatedKreatininum2-amino-1-methylimidazolin-4-one2-amino-3-methyl-4H-imidazol-5-one2-amino-1-methyl-1,5-dihydro-4H-imidazol-4-one4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-creatininaNSC-13123
Show more names
AYI8EX34EU2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-oneCHEMBL65567CHEBI:16737NSC-760435CREATININE (II)CREATININE [II]IMIDAZOLIDIN-4-ONE, 2-IMINO-1-METHYL
Database identifiers
- CAS
60-27-5- PubChem CID
- 588
- ChEMBL
CHEMBL65567- ChEBI
CHEBI:16737- UNII
- AYI8EX34EU
- EC Number
- 200-466-7
Properties
Computed structural propertiesFilling in
- XLogP
- -1.8
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Other Biomolecules
CosmeticsSkin conditioning
LogP-1.76
Solubility80.1 mg/mL at 16 °C
Melting Point303 °C (decomposes)
Vapor Pressure0.000217 [mmHg]
Physical Description
Solid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]
Solid
Collision Cross Section123.4 Ų [M+H]+
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 60% (6 of 10) of all reports.
Warning
H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-
Status: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16337
Creatinine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (40%)
Chemistry & industry
Pharmacology
Tissue LocationsAdipose Tissue
Cellular LocationsCytoplasm
Uses & manufacturing
UsesUsed as a bulking agent for freeze drying; [ChemIDplus] Final metabolic product of creatine that is found in all bodily fluids; Used in determination of renal function; [Merck Index]
Use ClassificationCosmetics -> Skin conditioning
General Manufacturing Information4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-: ACTIVE
Related reactions
38 records
Compound notes
Loading…