Grundinformationen
- Standard-SMILES
CN1CC(=O)N=C1N- InChIKey
DDRJAANPRJIHGJ-UHFFFAOYSA-N- Summenformel
- C4H7N3O
- Durchschnittliche Molmasse
- 113,12 g/mol
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- creatinine
- IUPAC
- 2-amino-3-methyl-4H-imidazol-5-one
Namen und Synonyme
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
Weitere Namen anzeigen
AYI8EX34EU2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-oneCHEMBL65567CHEBI:16737NSC-760435CREATININE (II)CREATININE [II]IMIDAZOLIDIN-4-ONE, 2-IMINO-1-METHYL
Datenbank-Bezeichner
- CAS
60-27-5- PubChem CID
- 588
- ChEMBL
CHEMBL65567- ChEBI
CHEBI:16737- UNII
- AYI8EX34EU
- EC Number
- 200-466-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,8
- Polarare Oberfläche (TPSA)
- 58,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 151
Experimentelle und physikochemische Eigenschaften
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]+
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsAdipose Tissue
Cellular LocationsCytoplasm
Verwendung und Herstellung
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
Zugehörige Reaktionen
38
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