1-Methylimidazoleacetic acid

Methylimidazoleacetic acid · 1-Methylimidazoleacetic acid · 2-(1-Methyl-4-Imidazolyl)Acetic Acid · 2-(1-methylimidazol-4-yl)acetic acid · 1H-IMidazole-4-acetic acid, 1-Methyl- · (1-Methyl-1H-imidazol-4-yl)-acetic acid · 2-(1-Methyl-1H-iMidazol-4-yl)acetic acid

https://huagongshe.com/de/chemical/75810

Molekülstruktur von 1-Methylimidazoleacetic acid

Identifikatoren & physikalische Daten

CAS No.	2625-49-2
Summenformel	C6H8N2O2
Durchschnittliche Molmasse	140,14 g/mol
Monoisotopische Masse	140,0585775 g/mol
SMILES	Cn1cnc(CC(=O)O)c1
InChIKey	ZHCKPJGJQOPTLB-UHFFFAOYSA-N
PubChem CID	75810
ChEBI	CHEBI:1606
EC No.	112-449-0
DTXSID	DTXSID30180884

Chemische & physikalische Eigenschaften

XLogP	-0,5
Polarare Oberfläche (TPSA)	55,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	10
Formalladung	0
Komplexität	138
Color/Form	Crystalline solid
Löslichkeit	Solubility: Approx 10 mg/L in PBS /phosphate-buffered saline/ (pH 7.2)appeoxmately 10 mg/mL in DMSOApproximately 2 mg/mL in ethanol, DMF /Methylimidazoleacetic acid, monohydrochloride/
Physical Description	Solid
Other Experimental Properties	Crystalline solid. MW 176.6. /Methylimidazoleacetic acid, monohydrochloride/lambda max: 214 nm /Methylimidazole acetic acid, monohydrochloride/
Schmelzpunkt	187-189 °C
Siedepunkt	384.4±17.0 °C(Predicted)
Dichte	1.27±0.1 g/cm3(Predicted)
Lagerbedingungen	2-8°C
Aggregatzustand	Solid
pKa (Säurekonstante)	3.44±0.10(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Entsorgungsverfahren	SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in air, soil or watereffects on animal, aquatic and plant lifeand conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.
Toxizitätsübersicht	IDENTIFICATION AND USE: Methylimidazoleacetic acid is a urinary metabolite of histamine and end-product of histamine metabolism. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: There are no data available.
Natural Pollution Sources	Methyimidazoleacetate is a urinary metabolite of histamine and end-product of histamine metabolism.
Artificial Pollution Sources	Methylimidazoleacetic acid's production and use as a research chemical(1) may result in its release to the environment through various waste streams(SRC).
Antidote and Emergency Treatment	/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B//SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/