zinc(2+) ion 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine dichloride hydrochloride

• ChemBase ID: 106137
• Molecular Formular: C17H20Cl3N3Zn
• Molecular Mass: 438.0998
• Monoisotopic Mass: 435.0014227
• SMILES: Cl.[Cl-].[Cl-].[Zn+2].CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C
• Canonical SMILES: CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C.Cl.[Cl-].[Cl-].[Zn+2]
• InChI: InChI=1S/C17H19N3.3ClH.Zn/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;3*1H;/q;;;;+2/p-2
• InChIKey: VADJQOXWNSPOQA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine dichloride hydrochloride
• IUPAC Traditional name: zinc, ion (zn2+) acridine orange dichloride hydrochloride
• Synonyms: C.I. 46005; 3,6-bis(Dimethylamino) acridine monohydrochloride compound with zinc chloride; Euchrysine 3RX; N,N,N',N'-Tetramethylacridine-3,6-diaminmonohydrochlorid, verbindung mit zinkcdichlorid; ACRIDINE ORANGE HEMI-ZINC CHLORIDE SALT

Database IDs

• CAS Number: 10127-02-3
• EC Number: 233-353-6
• PubChem SID: 162087687
• PubChem CID: 159263

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: 84.914696 cm^3
• Polarizability: 34.26807 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AR7600000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:20/21/22-40
• Safety Statements: S:36/37/39-45

DETAILS

MP Biomedicals - 02199405

3,6-bis(Dimethylamino)acridinium chloride hemi (zinc chloride salt)
C.I. 46005
Fluorescent stain for proteins.
RNA polymerase inhibitor

REFERENCES

• Nature, 187 : 964 (1960).