creatinine

Identifikatoren & physikalische Daten

CAS No.	60-27-5
Summenformel	C4H7N3O
Durchschnittliche Molmasse	113,12 g/mol
SMILES	CN1CC(=O)N=C1N
InChIKey	DDRJAANPRJIHGJ-UHFFFAOYSA-N
PubChem CID	588
ChEMBL	CHEMBL65567
ChEBI	CHEBI:16737
EC No.	200-466-7

XLogP	-1,8
Polarare Oberfläche (TPSA)	58,7
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	8
Formalladung	0
Komplexität	151
Stoffklassen	Biological Agents -> Other Biomolecules
Kosmetika	Skin conditioning
LogP (Verteilungskoeffizient)	-1.76
Löslichkeit	80.1 mg/mL at 16 °C
Schmelzpunkt	303 °C (decomposes)
Dampfdruck	0.000217 [mmHg]
Physical Description	Solid[Merck Index] White crystalline powder[Alfa Aesar MSDS]
Collision Cross Section	123.4 Å² [M+H]+

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 60% (6 of 10) of all reports.WarningH315 (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.
Regulatorische Informationen	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/16337Creatinine: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Gefahrenübersicht	A skin and strong eye irritant[Alfa Aesar MSDS]
Hazard Classes and Categories	Skin Irrit. 2 (40%)