9-methylacridine

• ChemBase ID: 118124
• Molecular Formular: C14H11N
• Molecular Mass: 193.24384
• Monoisotopic Mass: 193.08914936
• SMILES: n1c2c(c(c3c1cccc3)C)cccc2
• Canonical SMILES: Cc1c2ccccc2nc2c1cccc2
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methylacridine
• IUPAC Traditional name: acridine, 9-methyl-
• Synonyms: 9-methylacridine; 9-Methylacridine

Database IDs

• CAS Number: 611-64-3
• EC Number: 210-272-4
• MDL Number: MFCD00143523
• PubChem SID: 162091090
• PubChem CID: 11913

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.844881
• LogD (pH = 7.4): 3.9246287
• Log P: 4.019649
• Molar Refractivity: 61.0987 cm^3
• Polarizability: 26.51675 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117-119 °C(lit.); 117-119°C
• Partition Coefficient: 4.0069

Safety Information

• RTECS: AR9440000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 96%
• Empirical Formula (Hill Notation): C14H11N