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26283-09-0 molecular structure
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7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium hydrate chloride

ChemBase ID: 134064
Molecular Formular: C16H20ClN3OS
Molecular Mass: 337.8675
Monoisotopic Mass: 337.10156096
SMILES and InChIs

SMILES:
CN(C)c1ccc2c(c1)sc1cc(=[N+](C)C)ccc1n2.O.[Cl-]
Canonical SMILES:
CN(c1ccc2c(c1)sc1c(n2)ccc(=[N+](C)C)c1)C.O.[Cl-]
InChI:
InChI=1S/C16H18N3S.ClH.H2O/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;/h5-10H,1-4H3;1H;1H2/q+1;;/p-1
InChIKey:
WQVSELLRAGBDLX-UHFFFAOYSA-M

Cite this record

CBID:134064 http://www.chembase.cn/molecule-134064.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium hydrate chloride
IUPAC Traditional name
7-(dimethylamino)-N,N-dimethylphenothiazin-3-iminium hydrate chloride
Synonyms
Methylene Blue hydrate
Methylthionini chloridum
Methylene Blue hydrate
Methylene Blue zinc chloride double salt
Basic Blue 9
Methylene Blue zinc chloride double salt monohydrate
亚甲蓝 水合物
亚甲蓝 水合物
亚甲蓝 氯化锌复盐
CAS Number
26283-09-0
122965-43-9
699015-83-3
EC Number
200-515-2
MDL Number
MFCD00150006
Beilstein Number
3839953
3599847
PubChem SID
24897375
24884893
24896909
162228341
24884890
24856866
24859649
24854019
24896923
24859651
PubChem CID
16211647
Color Index Number
52015

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6216443  LogD (pH = 7.4) -0.61979914 
Log P -0.6197756  Molar Refractivity 103.881 cm3
Polarizability 32.736115 Å3 Polar Surface Area 18.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
C.I.No: 52015 expand Show data source
S. No.: 1038 expand Show data source
Absorption Wavelength
λmax 661 nm expand Show data source
λmax 664 nm expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22 expand Show data source
22-36 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
GHS Hazard statements
H301-H319 expand Show data source
H302 expand Show data source
GHS Precautionary statements
P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Purity
(IR spectrum consistent with structure) expand Show data source
≥95% (calc. to the dried substance) expand Show data source
≥96% expand Show data source
≥96% (calc. to the dried substance) expand Show data source
Grade
for microscopy expand Show data source
for microscopy (Bact., Bot., Hist.) expand Show data source
puriss. expand Show data source
Reag. Ph. Eur. expand Show data source
Suitability
complies for TLC expand Show data source
complies for UV spectrum expand Show data source
suitable for blood stain expand Show data source
suitable for nucleic acid staining expand Show data source
Ignition Residue
≤1% (as SO4) expand Show data source
Impurities
~1 mol/mol water expand Show data source
≤0.5% insoluble in ethanol expand Show data source
≤1% insoluble in ethanol expand Show data source
Loss on Drying
≤22% loss on drying, 105 °C expand Show data source
Quality
meets analytical specification of BP 73 expand Show data source
Empirical Formula (Hill Notation)
C16H18ClN3S · 0.5ZnCl2 · H2O expand Show data source
C16H18ClN3S · 0.5ZnCl2 · xH2O expand Show data source
C16H18ClN3S · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - M4159 external link
Features and Benefits
An alternative to ethidium bromide for staining nucleic acids in gels. Although sensitivity is two- to five-fold less, it offers several advantages:
• less hazardous
• gels can be viewed in visible light
• photographic documentation does not require a darkroom
• no UV-induced DNA damage
• stained gels can be stored several days with little loss of band sharpness or intensity
• destaining time only 30 min for polyacrylamide gels or overnight for agarose gels
Sigma Aldrich - M44907 external link
Packaging
100, 500 g in glass bottle
Sigma Aldrich - 32723 external link
General description
Visit our Titration Center to learn more.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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