6-chloro-2-methoxyacridin-9-amine

• ChemBase ID: 134317
• Molecular Formular: C14H11ClN2O
• Molecular Mass: 258.70294
• Monoisotopic Mass: 258.05599066
• SMILES: COc1ccc2c(c1)c(c1ccc(cc1n2)Cl)N
• Canonical SMILES: COc1ccc2c(c1)c(N)c1c(n2)cc(cc1)Cl
• InChI: InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17)
• InChIKey: IHHSSHCBRVYGJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-methoxyacridin-9-amine
• IUPAC Traditional name: 6-chloro-2-methoxyacridin-9-amine
• Synonyms: ACMA; 9-Amino-6-chloro-2-methoxyacridine

Database IDs

• CAS Number: 3548-09-2
• MDL Number: MFCD07374304
• PubChem SID: 24891024; 162228594
• PubChem CID: 19080

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4469007
• LogD (pH = 7.4): 2.0990627
• Log P: 3.123675
• Molar Refractivity: 72.0259 cm^3
• Polarizability: 30.001398 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: AR7330000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38-40
• Safety Statements: 22-26-36
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H351
• GHS Precautionary statements: P261-P281-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• Storage Temperature: -20°C

Product Information

• Purity: ≥95%
• Suitability: suitable for fluorescence