9-Methylacridine
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Basic information
- CAS
611-64-3- Standard SMILES
Cc1c2ccccc2nc2ccccc12- InChIKey
FLDRLXJNISEWNZ-UHFFFAOYSA-N- Molecular formula
- C14H11N
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.08914936
Names & identifiers
- Preferred name
- 9-Methylacridine
- IUPAC
- 9-methylacridine
- English name
- 9-METHYLACRIDINE
- Molecular formula
- C14H11N
- Molecular weight
- 193.24
Names & synonyms
9-Methylacridine611-64-3ACRIDINE, 9-METHYL-5-Methylacridine9-Methylakridin9-Methylakridin [Czech]1F3Q4U9UIS5-Methylacridine (European)BRN 01330849-MethylacridinUNII-1F3Q4U9UISNSC 1234
Show more names
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
Database identifiers
- CAS
611-64-3、88813-63-2- PubChem CID
- 11913
- DTXSID
DTXSID60862287- ChEMBL
CHEMBL1883643- UNII
- 1F3Q4U9UIS
- EC Number
- 210-272-4
- Nikkaji
- J55.346H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
Solubility7.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 114 · 114-119 °C
- Boiling point
- 319.47 °C · 319.47°C (rough estimate)
- Density
- 1.1061 · 1.1061 (rough estimate)
- refractive index
- 1.585 · 1.5850 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 6.68 · 6.68±0.10(Predicted)
- form
- Liquid
- color
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)
Safety data
- wgk
- WGK 3
- rtecs
- AR9440000
- hs_code
- 29339900
- risk_code
- 68-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 45-36/37/39-26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses9-Methylacridine is an derivative of Acridine (A190900), a quinoline derivative used as manufacturing dyes and as an intermediate for the synthesis of antileishmanial agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
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