8-imino-8H-10-oxa-5-azatetraphen-12-amine; acetic acid

• ChemBase ID: 103136
• Molecular Formular: C18H15N3O3
• Molecular Mass: 321.33
• Monoisotopic Mass: 321.11134136
• SMILES: CC(=O)O.Nc1c2ccccc2c2nc3ccc(=N)cc3oc2c1
• Canonical SMILES: N=c1ccc2c(c1)oc1c(n2)c2ccccc2c(c1)N.CC(=O)O
• InChI: InChI=1S/C16H11N3O.C2H4O2/c17-9-5-6-13-14(7-9)20-15-8-12(18)10-3-1-2-4-11(10)16(15)19-13;1-2(3)4/h1-8,17H,18H2;1H3,(H,3,4)
• InChIKey: ORIKHDNZZCTIAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-imino-8H-10-oxa-5-azatetraphen-12-amine; acetic acid
• IUPAC Traditional name: 8-imino-10-oxa-5-azatetraphen-12-amine; acetic acid
• Synonyms: Cresyl Violet acetate; Cresyl Fast Violet; 9-Amino-5-imino-5H-benzo[a]phenoxazine acetate salt; CRESYL VIOLET ACETATE

Database IDs

• CAS Number: 10510-54-0
• EC Number: 234-043-3
• MDL Number: MFCD00013151
• PubChem SID: 24892438; 162103263; 24892749
• PubChem CID: 44134641

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1643406
• LogD (pH = 7.4): -1.1320857
• Log P: 2.250967
• Molar Refractivity: 93.5663 cm^3
• Polarizability: 30.223406 Å^3
• Polar Surface Area: 71.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140-143 °C(lit.); 140-143°C

Safety Information

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

Product Information

• Purity: Dye Content ~75%
• Grade: certified by the Biological Stain Commission; for microscopy (Bact., Bot., Hist., Vit.)
• Compostion: Dye content, ~70%
• Empirical Formula (Hill Notation): C18H15N3O3

DETAILS

MP Biomedicals - 02150727

High Purity Biological Stain
Dye Content: ~ 75%
Used for staining nerve tissue and nerve cells^1 and fresh tumor tissue for biopsy^2.

Sigma Aldrich - C1791

Application
Recommended substitute for Cresyl echt Violet (Cresyl Fast Violet)

Sigma Aldrich - C5042

包装
10 g in glass bottle
Suitability
Certified for Nissl staining of paraffin sections of spinal cord and brain and to stain cartilage and mast cell granules.

Sigma Aldrich - 61123

Other Notes
For use in fluorescence microscopy (λex 575 nm, λem 620 nm);1 Redox-indicator dye;2 Dye used in a coupled fluorometric assay of pyruvate dehydrogenase.3

REFERENCES

• Stain Technol., 30: 83 (1955).
• J. Lab Clin. Med., 8: 250 (1923).