Methyl-4,5-dimethoxyanthranilat

Methyl 4,5-dimethoxyanthranilate

HCID 611144

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Grundinformationen

CAS: 26759-46-6
Standard-SMILES: COC(=O)c1cc(OC)c(OC)cc1N
InChIKey: QQFHCCQSCQBKBG-UHFFFAOYSA-N
Summenformel: C10H13NO4
Durchschnittliche Molmasse: 211,21 g/mol
Monoisotopische Masse: 211,0844579

Namen und Bezeichner

Bevorzugter Name: Methyl 4,5-dimethoxyanthranilate
IUPAC: methyl 2-amino-4,5-dimethoxybenzoate
Lokaler Name: Methyl-4,5-dimethoxyanthranilat
Englischer Name: Methyl 2-amino-4,5-dimethoxybenzoate
Summenformel: C10H13NO4
Molmasse: 211.21

Namen und Synonyme

26759-46-6Methyl 4,5-dimethoxyanthranilateBenzoic acid, 2-amino-4,5-dimethoxy-, methyl esterEINECS 247-967-7DTXSID60181268RefChem:815694DTXCID70103759247-967-7Methyl 2-amino-4,5-dimethoxybenzoateMethyl 6-aminoveratrate2-Amino-4,5-dimethoxybenzoic Acid Methyl EsterMFCD00014904

Weitere Namen anzeigen

Methyl 2-aMino-4TIMTEC-BB SBB0085545-diMethoxy benzoateLABOTEST-BB LT00454153Gefitinib interMediate IMethyl4,5-Dimethoxyanthranilate>2-amino-4,5-dimethoxy-benzate ester

6-Aminoveratric acid methyl ester4,5-dimethoxyanthranilic acid methylOprea1_336521SCHEMBL372600NCGC00020523-022-amino-4,5-dimethoxy-benzoic acid methyl estermethyl 2-amino-4,5-dimethoxy benzoatemethyl 2-amino-4,5-dimethoxy-benzoate

Datenbank-Bezeichner

CAS: 26759-46-6
PubChem CID: 611144
DTXSID: DTXSID60181268
ChEMBL: CHEMBL1506549
EC Number: 247-967-7
Nikkaji: J195.863A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 70,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 15
Formalladung: 0
Komplexität: 221

Physikochemische Eigenschaften

Schmelzpunkt: 128 · 128-133 °C
Siedepunkt: 343.1 · 343.1±37.0 °C(Predicted)
Dichte: 1.189 · 1.189±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: powder to crystal
pka: 2.68 · 2.68±0.10(Predicted)
Farbe: White to Light yellow to Light orange
BRN: 2724754 · 2724754
Major Application: peptide synthesis
InChI: InChI=1S/C10H13NO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,11H2,1-3H3
InChIKey: QQFHCCQSCQBKBG-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC(OC)=C(OC)C=C1N
CAS Datenbank: 26759 · 26759-46-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.