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: [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

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5$l^{5},10-phenazin-5-ylium chloride; 3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5λ^5-phenazin-5-ylium chloride; 3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5λ^5,10-phenazin-5-ylium chloride; 3-(diethylamino)-7-[(E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]-5-phenyl-5λ^5,10-phenazin-5-ylium chloride
• IUPAC Traditional name: 3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5$l^{5},10-phenazin-5-ylium chloride; 3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5λ^5-phenazin-5-ylium chloride; 3-(diethylamino)-7-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-5-phenyl-5λ^5,10-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

Database IDs

• 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

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.7735314
• LogD (pH = 7.4): 4.779212
• Log P: 4.779285
• Molar Refractivity: 162.5813 cm^3
• Polarizability: 58.78382 Å^3
• Polar Surface Area: 47.97 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 395 nm; λmax 660 nm (2nd)

Safety Information

• RTECS: SG1633000
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: certified by the Biological Stain Commission; for microscopy
• Compostion: Dye content, ~65%; Dye content, 65%
• Empirical Formula (Hill Notation): C30H31ClN6

DETAILS

MP Biomedicals - 05208965

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 201677

Packaging
5, 25 g in glass bottle