3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine hydrate hydrochloride

• ChemBase ID: 156818
• Molecular Formular: C17H22ClN3O
• Molecular Mass: 319.82908
• Monoisotopic Mass: 319.14514002
• SMILES: CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C.O.Cl
• Canonical SMILES: CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C.O.Cl
• InChI: InChI=1S/C17H19N3.ClH.H2O/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14;;/h5-11H,1-4H3;1H;1H2
• InChIKey: JUAAUEXLEKAEQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine hydrate hydrochloride
• IUPAC Traditional name: acridine orange hydrate hydrochloride
• Synonyms: 3,6-Bis(dimethylamino)acridine hydrochloride; Acridine Orange hydrochloride hydrate

Database IDs

• CAS Number: 65-61-2
• EC Number: 200-614-0
• MDL Number: MFCD00150070
• Beilstein Number: 3734978
• PubChem SID: 162250955; 24844901; 24859123
• PubChem CID: 16210992
• Color Index Number: 46005

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0666623
• LogD (pH = 7.4): 2.9319835
• Log P: 3.7223153
• Molar Refractivity: 84.9147 cm^3
• Polarizability: 34.26807 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 284-287 °C(lit.)
• Absorption Wavelength: λmax 492 nm

Safety Information

• RTECS: AR7601000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (HPLC); 99% (HPLC)
• Grade: for microscopy (Fl., Hist.); purum
• Empirical Formula (Hill Notation): C17H19N3 · HCl · xH2O

DETAILS

Sigma Aldrich - 01662

Application
Fluorescent stain for nucleic acids in agarose and polyacrylamide gels. Has been used to study apoptosis in various cell culture and tissue models.

Sigma Aldrich - 318337

Application
Fluorescent stain for nucleic acids in agarose and polyacrylamide gels. Has been used to study apoptosis in various cell culture and tissue models.
A rigorously purified zinc-free material suitable for use in flow cytometry.
Packaging
1, 5 g in glass bottle