2,7-dimethylacridine-3,6-diamine hydrochloride

• ChemBase ID: 109509
• Molecular Formular: C15H16ClN3
• Molecular Mass: 273.76064
• Monoisotopic Mass: 273.10327521
• SMILES: Cl.Cc1cc2cc3c(cc(N)c(C)c3)nc2cc1N
• Canonical SMILES: Nc1cc2nc3cc(N)c(cc3cc2cc1C)C.Cl
• InChI: InChI=1S/C15H15N3.ClH/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16;/h3-7H,16-17H2,1-2H3;1H
• InChIKey: BGLGAKMTYHWWKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethylacridine-3,6-diamine hydrochloride
• IUPAC Traditional name: acridine yellow hydrochloride
• Synonyms: ACRIDINE YELLOW; Acridine yellow H107; Basic Yellow K; 2,7-Dimethylproflavine; Acridine yellow G; Acridine Yellow G

Database IDs

• CAS Number: 135-49-9; 92-26-2
• EC Number: 202-141-5; 205-194-2
• MDL Number: MFCD00012661
• Beilstein Number: 5-22-11-00340
• PubChem SID: 24851921; 162096259
• PubChem CID: 8672
• CHEBI ID: 248841
• CHEMBL: 329221
• Chemspider ID: 8348
• MeSH Name: Acridine+yellow
• Wikipedia Title: Acridine_yellow
• Color Index Number: 46025

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1986696
• LogD (pH = 7.4): 1.8548224
• Log P: 2.8752184
• Molar Refractivity: 75.5407 cm^3
• Polarizability: 30.408264 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Brown/red crystals
• Absorption Wavelength: λmax 442 nm

Safety Information

• RTECS: AR8790000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38-40; R:22; R20/21/22, R36/37/38, R68
• Safety Statements: 26-36/37/39; S:36/37/39; S26, S36/37/39
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• NFPA704:
  

  1

  2

  0
• GHS Hazard statements: H302-H312-H315-H319-H332-H335-H351
• GHS Precautionary statements: P261-P280-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

Product Information

• Compostion: Dye content, 90%
• Empirical Formula (Hill Notation): C15H15N3 · HCl

DETAILS

MP Biomedicals - 05211361

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 199508

Packaging
25 g in glass bottle