Grundinformationen
- CAS
611-64-3- Standard-SMILES
Cc1c2ccccc2nc2ccccc12- InChIKey
FLDRLXJNISEWNZ-UHFFFAOYSA-N- Summenformel
- C14H11N
- Durchschnittliche Molmasse
- 193,24 g/mol
- Monoisotopische Masse
- 193,08914936
Namen und Bezeichner
- Bevorzugter Name
- 9-Methylacridine
- IUPAC
- 9-methylacridine
- Lokaler Name
- 9-Methylacridin
- Englischer Name
- 9-METHYLACRIDINE
- Summenformel
- C14H11N
- Molmasse
- 193.24
Namen und Synonyme
9-Methylacridine611-64-3ACRIDINE, 9-METHYL-5-Methylacridine9-Methylakridin9-Methylakridin [Czech]1F3Q4U9UIS5-Methylacridine (European)BRN 01330849-MethylacridinUNII-1F3Q4U9UISNSC 1234
Weitere Namen anzeigen
9-methyl-acridin9-methylacrydine9-Methylacridine>9-Methylacridine, 99+%
EINECS 210-272-4NSC-1234CARBAMAZEPINE IMPURITY B [IP]FLDRLXJNISEWNZ-UHFFFAOYSA-9-METHYLACRIDINE [USP-RS]5-20-08-00253 (Beilstein Handbook Reference)CARBAMAZEPINE IMPURITY B [EP IMPURITY]88813-63-2
Datenbank-Bezeichner
- CAS
611-64-3、88813-63-2- PubChem CID
- 11913
- DTXSID
DTXSID60862287- ChEMBL
CHEMBL1883643- UNII
- 1F3Q4U9UIS
- EC Number
- 210-272-4
- Nikkaji
- J55.346H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 12,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 203
Experimentelle und physikochemische Eigenschaften
Solubility7.9 [ug/mL] (The mean of the results at pH 7.4)
Physikochemische Eigenschaften
- Schmelzpunkt
- 114 · 114-119 °C
- Siedepunkt
- 319.47 °C · 319.47°C (rough estimate)
- Dichte
- 1.1061 · 1.1061 (rough estimate)
- Brechungsindex
- 1.585 · 1.5850 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 6.68 · 6.68±0.10(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3
- InChIKey
- FLDRLXJNISEWNZ-UHFFFAOYSA-N
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (97.8%): 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 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 29339900
- RTECS-Nr.
- AR9440000
- risk_code
- 68-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 45-36/37/39-26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden9-Methylacridine is an derivative of Acridine (A190900), a quinoline derivative used as manufacturing dyes and as an intermediate for the synthesis of antileishmanial agents.
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