7-amino-N,N,8-trimethyl-3H-phenothiazin-3-iminium chloride

• ChemBase ID: 103721
• Molecular Formular: C15H16ClN3S
• Molecular Mass: 305.82564
• Monoisotopic Mass: 305.07534621
• SMILES: [Cl-].Cc1cc2c(sc3cc(=[N+](C)C)ccc3n2)cc1N
• Canonical SMILES: Cc1cc2nc3ccc(=[N+](C)C)cc3sc2cc1N.[Cl-]
• InChI: InChI=1S/C15H15N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8,16H,1-3H3;1H
• InChIKey: GEDVVYWLPUPJJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-N,N,8-trimethyl-3H-phenothiazin-3-iminium chloride
• IUPAC Traditional name: 7-amino-N,N,8-trimethylphenothiazin-3-iminium chloride
• Synonyms: Basic Blue 17; Blutenechloride; Methylene Blue T50; Tolonium Chloride; C.I. 52040; 3-Amino-7-Dimethylamino-2-methylphenazathionium chloride; TOLUIDINE BLUE O; Blutene chloride; Methylene Blue T50 or T extra; Toluidine Blue O

Database IDs

• CAS Number: 92-31-9
• EC Number: 202-146-2
• MDL Number: MFCD00011934
• PubChem SID: 24900122; 24851865; 162103101
• PubChem CID: 7083
• Color Index Number: 52040

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0453479
• LogD (pH = 7.4): -1.0433495
• Log P: -1.043324
• Molar Refractivity: 99.194 cm^3
• Polarizability: 30.81272 Å^3
• Polar Surface Area: 41.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 626 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: SP5670000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: certified by the Biological Stain Commission
• Compostion: Dye content, ~80%; Dye content, 80%
• Empirical Formula (Hill Notation): C15H16ClN3S

DETAILS

MP Biomedicals - 05218669

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02152649

C.I. 52040
Useful as a metachromatic nuclear stain.

Sigma Aldrich - T3260

General description
A metachromatic dye suitable for a wide variety of histological staining procedures.
包装
5, 25, 100 g in glass bottle

Sigma Aldrich - 198161

General description
A metachromatic dye suitable for a wide variety of histological staining procedures.
Packaging
5, 25 g in glass bottle
Suitability
Certified for use as a metachromatic stain for mast cells and cartilage using the Churukian-Schenk method and the method of Nocht on paraffin sections.