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

• ChemBase ID: 105518
• Molecular Formular: C27H25ClN6
• Molecular Mass: 468.9806
• Monoisotopic Mass: 468.18292251
• SMILES: C[n+]1c2cc(N)ccc2cc2ccc(N)cc12.Nc1ccc2cc3ccc(N)cc3nc2c1.[Cl-]
• Canonical SMILES: Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.[Cl-]
• InChI: InChI=1S/C14H13N3.C13H11N3.ClH/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;1H
• InChIKey: PEJLNXHANOHNSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-diamino-10-methylacridin-10-ium acridine-3,6-diamine chloride
• IUPAC Traditional name: 3,6-diamino-10-methylacridine proflavine chloride
• Synonyms: 3,6-Diamino-10-methylacridinium chloride mixt. with 3,6-diaminoacridine (proflavine); Euflavine; Trypaflavine Neutral; Acriflavine; Acriflavinium chloride; Euflavin; ACRIFLAVINE NEUTRAL

Database IDs

• CAS Number: 65589-70-0; 8048-52-0
• EC Number: 201-668-8
• MDL Number: MFCD00064307
• PubChem SID: 24891319; 162092604
• PubChem CID: 443101
• CHEBI ID: 383703
• ATC CODE: QG01AC90; R02AA13
• CHEMBL: 354349
• Chemspider ID: 391386
• Wikipedia Title: Acriflavinium_chloride

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: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.33 g/mL (lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AR9660000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-36/37/38-50; R:22
• Safety Statements: 26-36/37/39-61; S:36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• RID/ADR: UN 3077 9/PG 3

DETAILS

MP Biomedicals - 02190676

Neutral
A mixture of 3,6-diamino-10-methylacridinium chloride and 3,6-diaminoacridine.

Sigma Aldrich - A8126

包装
25, 100 g in glass bottle
Application
Acriflanvine is used for fluorescently labeling of high molecular weight RNA molecules 1.Excitation and emission wavelengths in various solvents 2:
• Methanol: λex = 424 nm; λem = 518 nm
• Ethanol: λex = 426 nm; λem = 524 nm
• Propanol: λex = 430 nm; λem = 512 nm
• Butanol: λex = 430 nm; λem = 526 nm
• Formamide: λex = 434 nm; λem = 524 nm
• Glycerol: λex = 432 nm; λem = 540 nm
• Water: λex = 416 nm; λem = 514 nmInsoluble in ether, chloroform, and fixed oils. Utilized in fluorescence steady state measurements as a donor molecule (when paired with rhodamine 6G as the acceptor) to function as a pH sensor 3.