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2869-83-2 molecular structure
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3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5$l^{5},10-phenazin-5-ylium chloride

ChemBase ID: 108846
Molecular Formular: C30H31ClN6
Molecular Mass: 511.06034
Monoisotopic Mass: 510.2298727
SMILES and InChIs

SMILES:
[Cl-].CCN(CC)c1cc2[n+](c3ccccc3)c3c(ccc(c3)/N=N/c3ccc(cc3)N(C)C)nc2cc1
Canonical SMILES:
CCN(c1ccc2c(c1)[n+](c1ccccc1)c1c(n2)ccc(c1)/N=N/c1ccc(cc1)N(C)C)CC.[Cl-]
InChI:
InChI=1S/C30H31N6.ClH/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4;/h7-21H,5-6H2,1-4H3;1H/q+1;/p-1
InChIKey:
XXACTDWGHQXLGW-UHFFFAOYSA-M

Cite this record

CBID:108846 http://www.chembase.cn/molecule-108846.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5$l^{5},10-phenazin-5-ylium chloride
3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5λ5-phenazin-5-ylium chloride
3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5λ5,10-phenazin-5-ylium chloride
3-(diethylamino)-7-[(E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]-5-phenyl-5λ5,10-phenazin-5-ylium chloride
IUPAC Traditional name
3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5$l^{5},10-phenazin-5-ylium chloride
3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5λ5-phenazin-5-ylium chloride
3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5λ5,10-phenazin-5-ylium chloride
janus green B cation chloride
Synonyms
JANUS GREEN B
C.I. 11050
Diazin Green S
Union Green B
3-Diethylamino-7-(4-dimethylaminophenylazo)-5-phenylphenazinium chloride
Janus Green B
杰油绿B
健那绿 B
CAS Number
2869-83-2
EC Number
220-695-6
MDL Number
MFCD00011758
Merck Index
145255
PubChem SID
24852018
162094426
PubChem CID
76123
CHEBI ID
21184
Chemspider ID
68607
Wikipedia Title
Janus_Green_B
Color Index Number
11050

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.7735314  LogD (pH = 7.4) 4.779212 
Log P 4.779285  Molar Refractivity 162.5813 cm3
Polarizability 58.78382 Å3 Polar Surface Area 47.97 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Absorption Wavelength
λmax 395 nm expand Show data source
λmax 660 nm (2nd) expand Show data source
RTECS
SG1633000 expand Show data source
MSDS Link
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
Grade
certified by the Biological Stain Commission expand Show data source
for microscopy expand Show data source
Compostion
Dye content, ~65% expand Show data source
Dye content, 65% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C30H31ClN6 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05208965 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 201677 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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