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3625-57-8 molecular structure
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bis(12-amino-N,N-diethyl-8H-10-oxa-5-azatetraphen-8-iminium) sulfate

ChemBase ID: 103719
Molecular Formular: C40H40N6O6S
Molecular Mass: 732.8472
Monoisotopic Mass: 732.27300403
SMILES and InChIs

SMILES:
CC[N+](=c1ccc2nc3c(oc2c1)cc(N)c1c3cccc1)CC.CC[N+](=c1ccc2nc3c(oc2c1)cc(N)c1c3cccc1)CC.[O-]S(=O)(=O)[O-]
Canonical SMILES:
[O-]S(=O)(=O)[O-].CC[N+](=c1ccc2c(c1)oc1c(n2)c2ccccc2c(c1)N)CC.CC[N+](=c1ccc2c(c1)oc1c(n2)c2ccccc2c(c1)N)CC
InChI:
InChI=1S/2C20H19N3O.H2O4S/c2*1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;1-5(2,3)4/h2*5-12,21H,3-4H2,1-2H3;(H2,1,2,3,4)
InChIKey:
QIRDPEPUXNCOLD-UHFFFAOYSA-N

Cite this record

CBID:103719 http://www.chembase.cn/molecule-103719.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(12-amino-N,N-diethyl-8H-10-oxa-5-azatetraphen-8-iminium) sulfate
IUPAC Traditional name
bis(12-amino-N,N-diethyl-10-oxa-5-azatetraphen-8-iminium) sulfate
Synonyms
Nile Blue A
C.I. 51180
Basic Blue 12
Nile blue sulfate
NILE BLUE A
耐尔兰
CAS Number
3625-57-8
EC Number
222-832-5
MDL Number
MFCD00064529
PubChem SID
24897446
24897743
24847460
162090912
24886406
PubChem CID
19256
Color Index Number
51180

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.32914084  LogD (pH = 7.4) -0.328219 
Log P -0.32820722  Molar Refractivity 113.6569 cm3
Polarizability 37.90035 Å3 Polar Surface Area 50.62 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>300 °C (dec.)(lit.) expand Show data source
>300°C expand Show data source
>300°C dec. expand Show data source
Absorption Wavelength
λmax 633 nm expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
DJ1931000 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
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
Dye Content ~90% expand Show data source
Grade
certified by the Biological Stain Commission expand Show data source
for microscopy (Bact., Hist., Vit.) expand Show data source
indicator (pH 10.2-13.0) expand Show data source
Compostion
Dye content, ≥70% expand Show data source
Dye content, ≥75% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
2C20H20N3O · SO4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02152645 external link
C.I. 51180
Sulfate Salt Used to differentiate melanins and lipofuscins. Also useful for staining fats.
Dye content: ~ 90%
Sigma Aldrich - N0766 external link
Features and Benefits
Used in the preparation of an amperometric glucose sensor.1
Suitability
Certified for use in Lillie and Fullmer method for staining and discriminating between melanins and lipofuscins in paraffin sections of animal tissue; Lillie and Fuller method for fatty acids/lipids using frozen sections of fatty liver and avocado.
Sigma Aldrich - N5632 external link
Features and Benefits
Used in the preparation of an amperometric glucose sensor.1
Packaging
25 g in glass bottle
Sigma Aldrich - 121479 external link
Features and Benefits
Used in the preparation of an amperometric glucose sensor.1
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 72480 external link
Application
For the spectroscopic determination of tantalum
Features and Benefits
Used in the preparation of an amperometric glucose sensor.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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