2-(2,6-Dimethylphenylamino)-2-oxoacetic acid

HCID 14987869

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Grundinformationen

CAS: 2903-48-2
Standard-SMILES: Cc1cccc(C)c1NC(=O)C(=O)O
InChIKey: JFTAPSBIODPQJN-UHFFFAOYSA-N
Summenformel: C10H11NO3
Durchschnittliche Molmasse: 193,2 g/mol

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2-(2,6-Dimethylphenylamino)-2-oxoacetic acid
IUPAC: 2-(2,6-dimethylanilino)-2-oxoacetic acid
Englischer Name: [(2,6-DiMethylphenyl)aMino](oxo)acetic Acid
Summenformel: C10H11NO3
Molmasse: 193.2

Namen und Synonyme

2-(2,6-dimethylphenylamino)-2-oxoacetic acidRefChem:8242022903-48-2[(2,6-dimethylphenyl)carbamoyl]formic acid2,6-Dimethylanilino(oxo)acetic acid2-(2,6-dimethylanilino)-2-oxoacetic acidN-(2,6-Dimethylphenyl)oxamic acidMFCD10018453[(2,6-Dimethylphenyl)amino](oxo)acetic Acid2-((2,6-Dimethylphenyl)amino)-2-oxoacetic acidOxanilic acid, 2',6'-dimethyl-CVT-2537

Weitere Namen anzeigen

DMPAOLidocaine Impurity 5-d62,6-dimethylanilinoxoacetic acid6-DiMethylphenyl)aMino](oxo)acetic Acid

2-[(2,6-Dimethylphenyl)amino]-2-oxoacetic AcidJ7KKT84Z1ZAcetic acid, 2-[(2,6-dimethylphenyl)amino]-2-oxo-RS-89289Acetic acid, 2-((2,6-dimethylphenyl)amino)-2-oxo-(2,6-Dimethylanilino)(oxo)acetic Acid2-(2,6-dimethylanilino)-2-oxo-acetic acid((2,6-Dimethylphenyl)Carbamoyl)formic acid

Datenbank-Bezeichner

CAS: 2903-48-2
PubChem CID: 14987869
UNII: J7KKT84Z1Z
EC Number: 859-550-2
Nikkaji: J2.450.446H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 66,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 230

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Metabolite of Ranolazine

Physikochemische Eigenschaften

Schmelzpunkt: 178 · 178-180 °C
Dichte: 1.29 · 1.290±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 0.12 · 0.12±0.54(Predicted)
Aggregatzustand: powder
Farbe: White to Almost white
InChI: 1S/C10H11NO3/c1-6-4-3-5-7(2)8(6)11-9(12)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKey: JFTAPSBIODPQJN-UHFFFAOYSA-N
SMILES: O=C(C(O)=O)NC1=C(C)C=CC=C1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.