Cresyl Violet acetate - Dye content, ≥65% , CAS No.10510-54-0

CAS: 10510-54-0 Cat. No.: C165657 Formula: C₁₈H₁₅N₃O₃ Molecular Weight: 321.33 EC Number: 234-043-3

GRADE & PURITY Dye content, ≥65%

Synonyms

5,9-Diaminobenzo[a]phenoxazin-7-ium acetate | Cresyl violet acetate | SCHEMBL1502499 | HY-101888 | FT-0624094 | Benzo[a]phenoxazin-7-ium, 5,9-diamino-, acetate | MS-24748 | EINECS 234-043-3 | NSC 752338 | Cresyl Violet (acetate) | DTXSID90909331 | AKOS015

Storage

Room temperature

Shipped In

Normal

Overview

Cresyl Violet acetate has been used in Nissl staining of sections from spinal cord and brain.

Specifications

Synonyms

5,9-Diaminobenzo[a]phenoxazin-7-ium acetate | Cresyl violet acetate | SCHEMBL1502499 | HY-101888 | FT-0624094 | Benzo[a]phenoxazin-7-ium, 5,9-diamino-, acetate | MS-24748 | EINECS 234-043-3 | NSC 752338 | Cresyl Violet (acetate) | DTXSID90909331 | AKOS015

Specifications & Purity

Dye content, ≥65%

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Pubchem Sid

504755622

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755622

Canonical Smiles

CC(=O)[O-].C1=CC=C2C(=C1)C(=[NH2+])C=C3C2=NC4=C(O3)C=C(C=C4)N

IUPAC Name

(9-aminobenzo[a]phenoxazin-5-ylidene)azanium;acetate

InChIKey

UEWSHLFAYRXNHZ-UHFFFAOYSA-N

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/h1-8,18H,17H2;1H3,(H,3,4)

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=[NH2+])C=C3C2=NC4=C(O3)C=C(C=C4)N

Molecular Weight

321.33

Reaxy-Rn

9819665

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9819665&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxazines
      • Subclass Phenoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzoxazines
• Subclass: Phenoxazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxazines
• Alternative Parents: Naphthalenes Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Phenoxazine - Naphthalene - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Organopnictogen compound - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water and ethanol. Insoluble in acetone.
• Molecular Weight: 321.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 321.111 Da
• Monoisotopic Mass: 321.111 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 521.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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