4-Amino-3,5-xylenol

4-Amino-3,5-dimethylphenol

HCID 76543CAS 3096-70-6
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
Cc1cc(O)cc(C)c1N
InChIKey
GCWYXRHXGLFVFE-UHFFFAOYSA-N
Summenformel
C8H11NO
Durchschnittliche Molmasse
137,18 g/mol
Monoisotopische Masse
137,08406397

Namen und Bezeichner

Bevorzugter Name
4-Amino-3,5-dimethylphenol
IUPAC
4-amino-3,5-dimethylphenol
Lokaler Name
4-Amino-3,5-xylenol
Englischer Name
4-Amino-3,5-xylenol
Summenformel
C8H11NO
Molmasse
137.18

Namen und Synonyme

4-Amino-3,5-dimethylphenol3096-70-64-Amino-3,5-xylenol3,5-Dimethyl-4-aminophenol4-Hydroxy-2,6-dimethylanilinePhenol, 4-amino-3,5-dimethyl-3,5-Xylenol, 4-amino-NSC 38030EINECS 221-448-5UNII-1S8G005MHPNSC-38030BRN 2082260
Weitere Namen anzeigen
WLN: ZR DQ B1 F14-amino-5-xylenol4-Amino-3-Xylenol4-Amino-3,5-xyleol4-Hydroxy-2,6-xylidine
1S8G005MHPDTXSID8040272CHEBI:555454-13-00-01855 (Beilstein Handbook Reference)RefChem:97716DTXCID6020272Phenol, 4-amino-3,5-dimethyl-(9CI)1,3-Dimethyl-2-amino-5-xylenol

Datenbank-Bezeichner

CAS
3096-70-6
PubChem CID
76543
DTXSID
DTXSID8040272
ChEBI
CHEBI:55545
UNII
1S8G005MHP
EC Number
221-448-5
Nikkaji
J107.276E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,7
Polarare Oberfläche (TPSA)
46,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
181 °C · 181 °C
Siedepunkt
296.5 · 296.5±28.0 °C(Predicted)
Dichte
1.118 · 1.118±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit
soluble in Methanol
Aggregatzustand
powder to crystal

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H400 (93%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAquatic Acute 1 (93%)

Toxikologische Informationen

Acute Toxicity LinkChemical: XYLENOL DIMETHYLAMINO

Sicherheitsdaten

hs_code
2922290090
RTECS-Nr.
ZE6740000
risk_code
50
hazard_code
N
safety_code
61

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites4-hydroxy-2,6-dimethylaniline has known human metabolites that include (2S,3S,4S,5R)-6-(4-amino-3,5-dimethylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.；4-hydroxy-2,6-dimethylaniline is a known human metabolite of 2,6-Xylidine.
Tissue LocationsKidney；Liver
Metabolite PathwaysLidocaine (Antiarrhythmic) Action Pathway；Lidocaine (Local Anaesthetic) Action Pathway；Lidocaine (Local Anaesthetic) Metabolism Pathway

Verwendung und Herstellung

Use ClassificationMETABOLITE-MEXACARBATES

Anwendungen

VerwendenA major Lidocaine metabolite.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A substituted aniline in which the aniline ring carries 4-hydroxy and 2,6-dimethyl substituents; a urinary metabolite of lidocaine.

Zugehörige Reaktionen

24
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…