4-Amino-m-kresol
4-Amino-m-cresol
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Grundinformationen
- CAS
2835-99-6- Standard-SMILES
Cc1cc(O)ccc1N- InChIKey
QGNGOGOOPUYKMC-UHFFFAOYSA-N- Summenformel
- C7H9NO
- Durchschnittliche Molmasse
- 123,15 g/mol
- Monoisotopische Masse
- 123,06841391
Überblick
4-hydroxy-6-methylaniline is a substituted aniline in which the aniline ring carries 4-hydroxy and 6-methyl substituents; a urinary metabolite of lidocaine. It has a role as a drug metabolite. It is a member of phenols and a substituted aniline.
Namen und Bezeichner
- Bevorzugter Name
- 4-Amino-m-cresol
- IUPAC
- 4-amino-3-methylphenol
- Lokaler Name
- 4-Amino-m-kresol
- Englischer Name
- 4-Amino-3-methylphenol
- Summenformel
- C7H9NO
- Molmasse
- 123.15
Namen und Synonyme
4-Amino-3-methylphenol4-Amino-m-cresol2835-99-6Phenol, 4-amino-3-methyl-4-amino-3-cresol3-methyl-p-aminophenol4-Amino-3-methyl phenol4-hydroxy-6-methylaniline4-hydroxy-6'-methylalanineNSC 72170DTXSID20492624-OH-6'-methylalanine
Weitere Namen anzeigen
2-AMINO-5-HYDROXYTOLUENEp-Hydroxy-o-toluidine3-Methyl-4-aminophenol4-amino-meta-Amino-M-Cresol
EINECS 220-621-2UNII-12R07I1K8CBRN 2078803CCRIS 8320AI3-1631312R07I1K8CCOLOREX 4AMCJAROCOL 4A3MP
Datenbank-Bezeichner
- CAS
2835-99-6- PubChem CID
- 17819
- DTXSID
DTXSID2049262- ChEMBL
CHEMBL3092390- ChEBI
CHEBI:55546- UNII
- 12R07I1K8C
- EC Number
- 220-621-2
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 46,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 94,9
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (4-Amino-m-Cresol) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
Physikochemische Eigenschaften
- Schmelzpunkt
- 176 · 176-179 °C (lit.)
- Siedepunkt
- 229.26 °C · 229.26°C (rough estimate)
- Dichte
- 1.0877 · 1.0877 (rough estimate)
- Brechungsindex
- 1.538 · 1.5380 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- soluble in Methanol
- pka
- 10.34 · 10.34±0.18(Predicted)
- Aggregatzustand
- Powder
- Farbe
- Brown
- Wasserlöslichkeit
- insoluble
- BRN
- 2078803 · 2078803
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (1 of 130) of reports.
Warning
H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 130 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 4-amino-3-methyl-
Status: Active Update: 03-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23006
Phenol, 4-amino-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phenol, 4-amino-3-methyl-: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (99.2%)
Acute toxicity - category 4
Toxikologische Informationen
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Sicherheitsdaten
Chemie und Industrie
Verwendung und Herstellung
UsesCIR ingredient: 4-Amino-m-Cresol
Household ProductsInformation on 21 consumer products that contain 4-Amino-m-cresol in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationPhenol, 4-amino-3-methyl-: ACTIVE
Anwendungen
Beschreibung4-Amino-3-methylphenol is a metabolite of 3-methyl-4-nitrophenol. It is a major metabolite of carcinogenic o-toluidine and causes DNA damage in the presence of Cu(II).
Verwenden4-Amino-3-methylphenol is a useful reagent for the synthesis of piperidine (piperazine)-amide substituted derivatives as multi-target antipsychotics.4-Amino-3-methylphenol was used in synthesis of a new type of tweezer-molecule in which a strongly preferred binding conformation is generated by convergent, intramolecular hydrogen bonding.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: 4-hydroxy-6-methylaniline is a substituted aniline in which the aniline ring carries 4-hydroxy and 6-methyl substituents; a urinary metabolite of lidocaine. It has a role as a drug metabolite. It is a member of phenols and a substituted aniline.
Zugehörige Reaktionen
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