3,6-diamino-10-methylacridin-10-ium acridine-3,6-diamine chloride dihydrochloride

• ChemBase ID: 130887
• Molecular Formular: C27H27Cl3N6
• Molecular Mass: 541.90248
• Monoisotopic Mass: 540.13627793
• SMILES: C[n+]1c2cc(ccc2cc2c1cc(cc2)N)N.c1cc(cc2c1cc1ccc(cc1n2)N)N.Cl.Cl.[Cl-]
• Canonical SMILES: Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl.Cl.[Cl-]
• InChI: InChI=1S/C14H13N3.C13H11N3.3ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;;;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;3*1H
• InChIKey: MKLTXAHQKDVBLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-diamino-10-methylacridin-10-ium acridine-3,6-diamine chloride dihydrochloride
• IUPAC Traditional name: 3,6-diamino-10-methylacridine proflavine chloride dihydrochloride
• Synonyms: 3,6-Diamino-10-methylacridinium chloride hydrochloride; Euflavine; Acriflavine hydrochloride; Acriflavine 盐酸盐

Database IDs

• CAS Number: 8063-24-9
• MDL Number: MFCD00069039
• Beilstein Number: 6265525
• PubChem SID: 24891216; 162225165
• PubChem CID: 91561

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8081982
• LogD (pH = 7.4): -2.807895
• Log P: -2.8078911
• Molar Refractivity: 72.1127 cm^3
• Polarizability: 28.893906 Å^3
• Polar Surface Area: 55.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 260 °C (dec.)(lit.)
• Absorption Wavelength: λmax 465 nm
• Fluorescence: λex 463 nm; λem 490 nm in ethanol

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-41-51/53
• Safety Statements: 26-39-61
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318-H411
• GHS Precautionary statements: P273-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: for fluorescence; purum
• Compostion: Dye content, 90%
• Quality Level: PREMIUM

DETAILS

Sigma Aldrich - 01675

General description
mixture of 3,6-diamino-10-methyl-acridiniumchloride hydrochloride and 3,6-diamino-acridine-dihydrochloride
Other Notes
A mixture of 3,6-diamino-10-methylacridinium (acriflavin) and 3,6-diaminoacridine (proflavin)
Application
Acriflavine (Euflavine) is a fluorescent dye used as a biological stain and an antiseptic fungicide effective agent against parasitic infections. Acriflavine inhibits mitochondriogenesis.

Sigma Aldrich - 121266

Other Notes
A mixture of 3,6-diamino-10-methylacridinium (acriflavin) and 3,6-diaminoacridine (proflavin)

Sigma Aldrich - A8251

Other Notes
A mixture of 3,6-diamino-10-methylacridinium (acriflavin) and 3,6-diaminoacridine (proflavin)