4-(2-{3-[2-(2,4-diaminophenyl)diazen-1-yl]phenyl}diazen-1-yl)benzene-1,3-diamine dihydrochloride

• ChemBase ID: 103057
• Molecular Formular: C18H20Cl2N8
• Molecular Mass: 419.311
• Monoisotopic Mass: 418.11879804
• SMILES: Cl.Cl.Nc1ccc(/N=N/c2cccc(c2)/N=N/c2ccc(N)cc2N)c(N)c1
• Canonical SMILES: Nc1ccc(c(c1)N)/N=N/c1cccc(c1)/N=N/c1ccc(cc1N)N.Cl.Cl
• InChI: InChI=1S/C18H18N8.2ClH/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;;/h1-10H,19-22H2;2*1H
• InChIKey: MCZVRBLCRZWFJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{3-[2-(2,4-diaminophenyl)diazen-1-yl]phenyl}diazen-1-yl)benzene-1,3-diamine dihydrochloride
• IUPAC Traditional name: bismarck brown Y dihydrochloride; 4-(2-{3-[2-(2,4-diaminophenyl)diazen-1-yl]phenyl}diazen-1-yl)benzene-1,3-diamine dihydrochloride
• Synonyms: 苯胺棕Y; 4,4-[1,3-PhenyleneBis(Azo)Bis]-1,3-Benzediamine Dihydrochloride; Basic Brown 1; C.I. 21000; Bismarck Brown B; Vesuvine; BISMARCK BROWN Y; Basic Brown G, GX, GXP; Excelsior Brown; Leather Brown; Manchester Brown; Phenylene Brown; Bismarck Brown Y (G); 4,4′-(m-Phenylenebisazo)bis-m-phenylenediamine dihydrochloride; Bismarck Brown Y; 比斯麦棕Y

Database IDs

• CAS Number: 10114-58-6
• EC Number: 233-314-3
• MDL Number: MFCD00012977
• Merck Index: 141253
• PubChem SID: 162089808; 24891671; 24888530
• PubChem CID: 82360
• Color Index Number: 21000

CALCULATED PROPERTIES

• Acid pKa: 18.05942
• H Acceptors: 8
• H Donor: 4
• LogD (pH = 5.5): 3.4620583
• LogD (pH = 7.4): 3.4692373
• Log P: 3.4693294
• Molar Refractivity: 113.4976 cm^3
• Polarizability: 37.358913 Å^3
• Polar Surface Area: 153.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Melting Point: > 280°C
• Absorption Wavelength: λmax 457 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: Dye Content ~50%
• Grade: certified by the Biological Stain Commission; for microscopy (Bact., Hist., Vit.)
• Compostion: Dye content, ~50%; Dye content, 50%
• Empirical Formula (Hill Notation): C18H18N8 · 2HCl

DETAILS

MP Biomedicals - 02150473

Plasma stain for mucin, cartilage and goblet cells.
Dye content: ~ 50%

Sigma Aldrich - B2759

Packaging
100 g in glass bottle

Sigma Aldrich - 861111

Packaging
25, 100 g in glass bottle
Suitability
Certified for use in staining goblet cells and cartilage.