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65-61-2 molecular structure
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3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine hydrochloride

ChemBase ID: 107356
Molecular Formular: C17H20ClN3
Molecular Mass: 301.8138
Monoisotopic Mass: 301.13457534
SMILES and InChIs

SMILES:
Cl.CN(C)c1cc2nc3cc(ccc3cc2cc1)N(C)C
Canonical SMILES:
CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C.Cl
InChI:
InChI=1S/C17H19N3.ClH/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
InChIKey:
VSTHNGLPHBTRMB-UHFFFAOYSA-N

Cite this record

CBID:107356 http://www.chembase.cn/molecule-107356.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine hydrochloride
IUPAC Traditional name
acridine orange hydrochloride
Synonyms
ACRIDINE ORANGE
ACRIDINE ORANGE N
ACRIDINE ORANGE (E. GURR)
3,6-Bis(dimethylamino)acridine hydrochloride
Acridine Orange hydrochloride solution
CAS Number
65-61-2
EC Number
200-614-0
MDL Number
MFCD00012660
Beilstein Number
3575587
PubChem SID
162093378
24844902
24891317
PubChem CID
517204

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0666623  LogD (pH = 7.4) 2.9319835 
Log P 3.7223153  Molar Refractivity 84.9147 cm3
Polarizability 34.26807 Å3 Polar Surface Area 19.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
284-287°C expand Show data source
Density
1.001 g/mL at 20 °C expand Show data source
Refractive Index
n20/D 1.338 expand Show data source
Fluorescence
λex 495 nm; λem 526 nm in TE buffer pH 8.0 (enhanced fluorescence with DNA) expand Show data source
RTECS
AR7601000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
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German water hazard class
2 expand Show data source
Risk Statements
R:20/21/22-40 expand Show data source
Safety Statements
S:36/37/39-45 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Concentration
~1% in H2O expand Show data source
10 mg/mL in H2O expand Show data source
Grade
for fluorescence expand Show data source
Certificate of Analysis
Download expand Show data source
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Empirical Formula (Hill Notation)
C17H19N3 · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05203423 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 05205478 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 05220129 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 01663 external link
Application
Metachromatic dye useful as a mitochondrial probe in living cells. This dye has been used to analyze mitochondria by flow cytometry, characterize multidrug resistance, and measure changes in mitochondrial mass during apoptosis in rat thymocytes.
Sigma Aldrich - A8097 external link
Application
Metachromatic dye useful as a mitochondrial probe in living cells. This dye has been used to analyze mitochondria by flow cytometry, characterize multidrug resistance, and measure changes in mitochondrial mass during apoptosis in rat thymocytes.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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